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Home Amines 100987-89-1
100987-89-1,MFCD02032690
Catalog No.:AA0003AU
100987-89-1 | 5-(4-Isopropylphenyl)-1,3,4-thiadiazol-2-amine
Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$6.00   $4.00
- +
1g
95%
in stock  
$14.00   $10.00
- +
10g
95%
in stock  
$59.00   $42.00
- +
25g
95%
in stock  
$134.00   $94.00
- +
  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA0003AU
Chemical Name:
5-(4-Isopropylphenyl)-1,3,4-thiadiazol-2-amine
CAS Number:
100987-89-1
Molecular Formula:
C11H13N3S
Molecular Weight:
219.3060
MDL Number:
MFCD02032690
IUPAC Name:
5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-amine
InChI:
InChI=1S/C11H13N3S/c1-7(2)8-3-5-9(6-4-8)10-13-14-11(12)15-10/h3-7H,1-2H3,(H2,12,14)
InChI Key:
QEKWMJDRQOKJJS-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)c1nnc(s1)N)C
Properties
Computed Properties
 
Complexity:
202  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.083g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
219.306g/mol
Monoisotopic Mass:
219.083g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  

Synonyms
 
5-(4-isopropylphenyl)-1,3,4-thiadiazol-2-amine 
100987-89-1 
Oprea1_728717 
MLS000686559 
CHEMBL1542793 
SCHEMBL10022384 
CTK3J9413 
DTXSID00358174 
HMS1780L22 
HMS2530C18 
ZINC449476 
KS-00000EZ1 
5-[4-(propan-2-yl)phenyl]-1,3,4-thiadiazol-2-amine 
SMSF0013760 
MFCD02032690 
AKOS000225579 
CB13012 
MCULE-9666922447 
NE46671 
AJ-22962 
AK-56333 
DS-15007 
SMR000268201 
5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-amine 
BIM-0010068.P001 
RT-010095 
EN300-12632 
SR-01000227276 
SR-01000227276-1 
Z85923448 
1,3,4-Thiadiazol-2-amine, 5-[4-(1-methylethyl)phenyl]- 
CID879437 
ZINC00449476 
1,3,4-Thiadiazol-2-amine,5-[4-(1-methylethyl)phenyl]- 
AC1LGZNT 
ACMC-1BQ8H 
CBMicro_010096 
AC1Q1OL7 
Cambridge id 6089995 
Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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