5-acetyl-2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-1,3-thiazole-4-carboxylic acid

C11H12N4O3S — CID 106697035

IUPAC5-acetyl-2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-1,3-thiazole-4-carboxylic acid
SMILESCC(=O)c1sc(Nc2c(C)n[nH]c2C)nc1C(=O)O
InChIInChI=1S/C11H12N4O3S/c1-4-7(5(2)15-14-4)12-11-13-8(10(17)18)9(19-11)6(3)16/h1-3H3,(H,12,13)(H,14,15)(H,17,18)
InChIKeyMXJYCDUDOYZXRK-UHFFFAOYSA-N
MW280.31 g/mol
LogP2.13
Rot. Bonds4

About 5-acetyl-2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-1,3-thiazole-4-carboxylic acid

5-acetyl-2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-1,3-thiazole-4-carboxylic acid (PubChem CID 106697035) has the molecular formula C11H12N4O3S and a molecular weight of 280.31 g/mol. Its IUPAC name is 5-acetyl-2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-acetyl-2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-1,3-thiazole-4-carboxylic acid
PubChem CID106697035
Molecular FormulaC11H12N4O3S
Molecular Weight280.31 g/mol
Exact Mass280.06
IUPAC Name5-acetyl-2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-1,3-thiazole-4-carboxylic acid
SMILESCC(=O)c1sc(Nc2c(C)n[nH]c2C)nc1C(=O)O
InChIInChI=1S/C11H12N4O3S/c1-4-7(5(2)15-14-4)12-11-13-8(10(17)18)9(19-11)6(3)16/h1-3H3,(H,12,13)(H,14,15)(H,17,18)
InChIKeyMXJYCDUDOYZXRK-UHFFFAOYSA-N
XLogP2.13
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-acetyl-2-(2,4,6-trimethylanilino)-1,3-thiazole-4-carboxylic acid
CID 106696709
5-acetyl-2-(4-bromo-3,5-dimethylanilino)-1,3-thiazole-4-carboxylic acid
CID 107580542
5-acetyl-2-(2-bromo-6-fluoroanilino)-1,3-thiazole-4-carboxylic acid
CID 107604321
5-acetyl-2-(piperidin-1-ylamino)-1,3-thiazole-4-carboxylic acid
CID 106697979
5-acetyl-2-(3,4,5-trifluoroanilino)-1,3-thiazole-4-carboxylic acid
CID 106697529
5-acetyl-2-(4-bromo-2-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 106696739
5-acetyl-2-(5-chloro-2-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 106696876
5-acetyl-2-[(2-methylpyrazol-3-yl)amino]-1,3-thiazole-4-carboxylic acid
CID 106697269
5-acetyl-2-(3,5-dichloro-4-fluoroanilino)-1,3-thiazole-4-carboxylic acid
CID 107580557
5-acetyl-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-1,3-thiazole-4-carboxylic acid
CID 106697309
5-acetyl-2-(5-bromo-4-fluoro-2-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 107590464
5-acetyl-2-(2,4-dichloroanilino)-1,3-thiazole-4-carboxylic acid
CID 106696737

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-acetyl-2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-1,3-thiazole-4-carboxylic acid (CID 106697035) is 5-acetyl-2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-acetyl-2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-acetyl-2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-1,3-thiazole-4-carboxylic acid is CC(=O)c1sc(Nc2c(C)n[nH]c2C)nc1C(=O)O.
What is the InChIKey of 5-acetyl-2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-1,3-thiazole-4-carboxylic acid?
The InChIKey is MXJYCDUDOYZXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3S/c1-4-7(5(2)15-14-4)12-11-13-8(10(17)18)9(19-11)6(3)16/h1-3H3,(H,12,13)(H,14,15)(H,17,18).
What are the key properties of 5-acetyl-2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-1,3-thiazole-4-carboxylic acid?
5-acetyl-2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-1,3-thiazole-4-carboxylic acid has a molecular weight of 280.31 g/mol, XLogP of 2.13, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 106697035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).