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

C9H10N4O2S — CID 67549472

IUPAC2-methyl-5-[(2-methylpyrazol-3-yl)amino]-1,3-thiazole-4-carboxylic acid
SMILESCc1nc(C(=O)O)c(Nc2ccnn2C)s1
InChIInChI=1S/C9H10N4O2S/c1-5-11-7(9(14)15)8(16-5)12-6-3-4-10-13(6)2/h3-4,12H,1-2H3,(H,14,15)
InChIKeyNPFUPXNLFDDWRM-UHFFFAOYSA-N
MW238.27 g/mol
LogP1.63
Rot. Bonds3

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

2-methyl-5-[(2-methylpyrazol-3-yl)amino]-1,3-thiazole-4-carboxylic acid (PubChem CID 67549472) has the molecular formula C9H10N4O2S and a molecular weight of 238.27 g/mol. Its IUPAC name is 2-methyl-5-[(2-methylpyrazol-3-yl)amino]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-[(2-methylpyrazol-3-yl)amino]-1,3-thiazole-4-carboxylic acid
PubChem CID67549472
Molecular FormulaC9H10N4O2S
Molecular Weight238.27 g/mol
Exact Mass238.05
IUPAC Name2-methyl-5-[(2-methylpyrazol-3-yl)amino]-1,3-thiazole-4-carboxylic acid
SMILESCc1nc(C(=O)O)c(Nc2ccnn2C)s1
InChIInChI=1S/C9H10N4O2S/c1-5-11-7(9(14)15)8(16-5)12-6-3-4-10-13(6)2/h3-4,12H,1-2H3,(H,14,15)
InChIKeyNPFUPXNLFDDWRM-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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(2-methylpyrazol-3-yl)amino]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-methyl-5-[(2-methylpyrazol-3-yl)amino]-1,3-thiazole-4-carboxylic acid (CID 67549472) is 2-methyl-5-[(2-methylpyrazol-3-yl)amino]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-methyl-5-[(2-methylpyrazol-3-yl)amino]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-methyl-5-[(2-methylpyrazol-3-yl)amino]-1,3-thiazole-4-carboxylic acid is Cc1nc(C(=O)O)c(Nc2ccnn2C)s1.
What is the InChIKey of 2-methyl-5-[(2-methylpyrazol-3-yl)amino]-1,3-thiazole-4-carboxylic acid?
The InChIKey is NPFUPXNLFDDWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2S/c1-5-11-7(9(14)15)8(16-5)12-6-3-4-10-13(6)2/h3-4,12H,1-2H3,(H,14,15).
What are the key properties of 2-methyl-5-[(2-methylpyrazol-3-yl)amino]-1,3-thiazole-4-carboxylic acid?
2-methyl-5-[(2-methylpyrazol-3-yl)amino]-1,3-thiazole-4-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 2-methyl-5-[(2-methylpyrazol-3-yl)amino]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 67549472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).