Home Other Building Blocks 2-[2-(1H-pyrazole-4-amido)-1,3-thiazol-4-yl]acetic acid

2-[2-(1H-pyrazole-4-amido)-1,3-thiazol-4-yl]acetic acid

CAS No.:
1154939-61-3
Catalog Number:
AG01EKJ2
Molecular Formula:
C9H8N4O3S
Molecular Weight:
252.2498
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Product Description
Catalog Number:
AG01EKJ2
Chemical Name:
2-[2-(1H-pyrazole-4-amido)-1,3-thiazol-4-yl]acetic acid
CAS Number:
1154939-61-3
Molecular Formula:
C9H8N4O3S
Molecular Weight:
252.2498
MDL Number:
MFCD12435529
IUPAC Name:
2-[2-(1H-pyrazole-4-carbonylamino)-1,3-thiazol-4-yl]acetic acid
InChI:
InChI=1S/C9H8N4O3S/c14-7(15)1-6-4-17-9(12-6)13-8(16)5-2-10-11-3-5/h2-4H,1H2,(H,10,11)(H,14,15)(H,12,13,16)
InChI Key:
GHRUQVOWDNQOEC-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1csc(n1)NC(=O)c1c[nH]nc1
Properties
Complexity:
315  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.032g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
252.248g/mol
Monoisotopic Mass:
252.032g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties