4-methyl-2-[(1-methylpyrazol-3-yl)amino]-1,3-thiazole-5-carboxylic acid

C9H10N4O2S — CID 80570340

IUPAC4-methyl-2-[(1-methylpyrazol-3-yl)amino]-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(Nc2ccn(C)n2)sc1C(=O)O
InChIInChI=1S/C9H10N4O2S/c1-5-7(8(14)15)16-9(10-5)11-6-3-4-13(2)12-6/h3-4H,1-2H3,(H,14,15)(H,10,11,12)
InChIKeyNTGOMHHPMCOBOH-UHFFFAOYSA-N
MW238.27 g/mol
LogP1.63
Rot. Bonds3

About 4-methyl-2-[(1-methylpyrazol-3-yl)amino]-1,3-thiazole-5-carboxylic acid

4-methyl-2-[(1-methylpyrazol-3-yl)amino]-1,3-thiazole-5-carboxylic acid (PubChem CID 80570340) has the molecular formula C9H10N4O2S and a molecular weight of 238.27 g/mol. Its IUPAC name is 4-methyl-2-[(1-methylpyrazol-3-yl)amino]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[(1-methylpyrazol-3-yl)amino]-1,3-thiazole-5-carboxylic acid
PubChem CID80570340
Molecular FormulaC9H10N4O2S
Molecular Weight238.27 g/mol
Exact Mass238.05
IUPAC Name4-methyl-2-[(1-methylpyrazol-3-yl)amino]-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(Nc2ccn(C)n2)sc1C(=O)O
InChIInChI=1S/C9H10N4O2S/c1-5-7(8(14)15)16-9(10-5)11-6-3-4-13(2)12-6/h3-4H,1-2H3,(H,14,15)(H,10,11,12)
InChIKeyNTGOMHHPMCOBOH-UHFFFAOYSA-N
XLogP1.63
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-2-[[(1-methylpyrazol-3-yl)carbamoylamino]methyl]-1,3-thiazole-5-carboxylic acid
CID 63628855
methyl 4-chloro-2-[(1-methylpyrazol-3-yl)amino]-1,3-thiazole-5-carboxylate
CID 79778588
ethyl 5-acetyl-2-[(1-methylpyrazol-3-yl)amino]-1,3-thiazole-4-carboxylate
CID 107377357
2-(2,5-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 1132750
1,3-dimethyl-5-[(1-methylpyrazol-3-yl)amino]pyrazole-4-carboxylic acid
CID 79778807
2-amino-4-methyl-N-(1-methylpyrazol-3-yl)-1,3-thiazole-5-carboxamide
CID 62794451
4-methyl-2-(2,4,6-trimethylanilino)-1,3-thiazole-5-carboxylic acid
CID 9154510
4-methyl-2-(2,3,4,5,6-pentafluoroanilino)-1,3-thiazole-5-carboxylic acid
CID 115565223
4-methyl-2-(2-pyrazol-1-ylethylamino)-1,3-thiazole-5-carboxylic acid
CID 80569708
4-methyl-2-(4-methylsulfonylanilino)-1,3-thiazole-5-carboxylic acid
CID 80569518
4-methyl-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxylic acid
CID 80568831
3-methyl-5-[(1-methylpyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 54920333

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(1-methylpyrazol-3-yl)amino]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-[(1-methylpyrazol-3-yl)amino]-1,3-thiazole-5-carboxylic acid (CID 80570340) is 4-methyl-2-[(1-methylpyrazol-3-yl)amino]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[(1-methylpyrazol-3-yl)amino]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-[(1-methylpyrazol-3-yl)amino]-1,3-thiazole-5-carboxylic acid is Cc1nc(Nc2ccn(C)n2)sc1C(=O)O.
What is the InChIKey of 4-methyl-2-[(1-methylpyrazol-3-yl)amino]-1,3-thiazole-5-carboxylic acid?
The InChIKey is NTGOMHHPMCOBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2S/c1-5-7(8(14)15)16-9(10-5)11-6-3-4-13(2)12-6/h3-4H,1-2H3,(H,14,15)(H,10,11,12).
What are the key properties of 4-methyl-2-[(1-methylpyrazol-3-yl)amino]-1,3-thiazole-5-carboxylic acid?
4-methyl-2-[(1-methylpyrazol-3-yl)amino]-1,3-thiazole-5-carboxylic acid has a molecular weight of 238.27 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(1-methylpyrazol-3-yl)amino]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 80570340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).