3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]-1H-pyrazole-5-carboxylic acid

C12H8N4O3S2 — CID 64523899

IUPAC3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
SMILESO=C(Nc1cc(C(=O)O)[nH]n1)c1csc(-c2cccs2)n1
InChIInChI=1S/C12H8N4O3S2/c17-10(14-9-4-6(12(18)19)15-16-9)7-5-21-11(13-7)8-2-1-3-20-8/h1-5H,(H,18,19)(H2,14,15,16,17)
InChIKeyIMNOJTKPBAFDME-UHFFFAOYSA-N
MW320.36 g/mol
LogP2.55
Rot. Bonds4

About 3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]-1H-pyrazole-5-carboxylic acid

3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]-1H-pyrazole-5-carboxylic acid (PubChem CID 64523899) has the molecular formula C12H8N4O3S2 and a molecular weight of 320.36 g/mol. Its IUPAC name is 3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
PubChem CID64523899
Molecular FormulaC12H8N4O3S2
Molecular Weight320.36 g/mol
Exact Mass320.00
IUPAC Name3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
SMILESO=C(Nc1cc(C(=O)O)[nH]n1)c1csc(-c2cccs2)n1
InChIInChI=1S/C12H8N4O3S2/c17-10(14-9-4-6(12(18)19)15-16-9)7-5-21-11(13-7)8-2-1-3-20-8/h1-5H,(H,18,19)(H2,14,15,16,17)
InChIKeyIMNOJTKPBAFDME-UHFFFAOYSA-N
XLogP2.55
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-thiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 9043733
3-(pyridine-2-carbonylamino)-1H-pyrazole-5-carboxylic acid
CID 64527840
N-(5-fluoro-2-methylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 9045051
N-(4-phenoxyphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 117094559
N-[4-(dimethylamino)-3,5-difluorophenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 55907163
N-[3-(1H-pyrazol-5-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 46601942
3-[(6-fluoropyridine-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 115496461
1-(4-chlorophenyl)-3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]urea
CID 2743958
N-quinolin-8-yl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 17447095
3-[(5-bromothiophene-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64528827
N-(2-ethylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 9047021
2-thiophen-2-yl-N-(2,3,4-trifluorophenyl)-1,3-thiazole-4-carboxamide
CID 27826298

Frequently Asked Questions

What is the IUPAC name of 3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]-1H-pyrazole-5-carboxylic acid (CID 64523899) is 3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]-1H-pyrazole-5-carboxylic acid is O=C(Nc1cc(C(=O)O)[nH]n1)c1csc(-c2cccs2)n1.
What is the InChIKey of 3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]-1H-pyrazole-5-carboxylic acid?
The InChIKey is IMNOJTKPBAFDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O3S2/c17-10(14-9-4-6(12(18)19)15-16-9)7-5-21-11(13-7)8-2-1-3-20-8/h1-5H,(H,18,19)(H2,14,15,16,17).
What are the key properties of 3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]-1H-pyrazole-5-carboxylic acid?
3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]-1H-pyrazole-5-carboxylic acid has a molecular weight of 320.36 g/mol, XLogP of 2.55, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 64523899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).