3-methyl-5-(3-pyrazol-1-ylpropanoylamino)-1,2-thiazole-4-carboxylic acid

C11H12N4O3S — CID 60868636

IUPAC3-methyl-5-(3-pyrazol-1-ylpropanoylamino)-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(NC(=O)CCn2cccn2)c1C(=O)O
InChIInChI=1S/C11H12N4O3S/c1-7-9(11(17)18)10(19-14-7)13-8(16)3-6-15-5-2-4-12-15/h2,4-5H,3,6H2,1H3,(H,13,16)(H,17,18)
InChIKeyLZVMHSKYPLIQQC-UHFFFAOYSA-N
MW280.31 g/mol
LogP1.38
Rot. Bonds5

About 3-methyl-5-(3-pyrazol-1-ylpropanoylamino)-1,2-thiazole-4-carboxylic acid

3-methyl-5-(3-pyrazol-1-ylpropanoylamino)-1,2-thiazole-4-carboxylic acid (PubChem CID 60868636) has the molecular formula C11H12N4O3S and a molecular weight of 280.31 g/mol. Its IUPAC name is 3-methyl-5-(3-pyrazol-1-ylpropanoylamino)-1,2-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-(3-pyrazol-1-ylpropanoylamino)-1,2-thiazole-4-carboxylic acid
PubChem CID60868636
Molecular FormulaC11H12N4O3S
Molecular Weight280.31 g/mol
Exact Mass280.06
IUPAC Name3-methyl-5-(3-pyrazol-1-ylpropanoylamino)-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(NC(=O)CCn2cccn2)c1C(=O)O
InChIInChI=1S/C11H12N4O3S/c1-7-9(11(17)18)10(19-14-7)13-8(16)3-6-15-5-2-4-12-15/h2,4-5H,3,6H2,1H3,(H,13,16)(H,17,18)
InChIKeyLZVMHSKYPLIQQC-UHFFFAOYSA-N
XLogP1.38
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyrazol-1-ylpropanamide
CID 43546402
N-(1,3-dimethylpyrazol-4-yl)-3-pyrazol-1-ylpropanamide
CID 134704539
3-methyl-5-[(2-propan-2-yloxyacetyl)amino]-1,2-thiazole-4-carboxylic acid
CID 112602057
5-(3-pyrazol-1-ylpropanoylamino)thiophene-2-carboxylic acid
CID 43474717
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-pyrazol-1-ylpropanamide
CID 112689328
2-(3-pyrazol-1-ylpropanoylamino)benzoic acid
CID 28788711
5-[[2-(2-fluorophenyl)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 60871549
3-methyl-5-[3-(2,2,2-trifluoroethoxy)propanoylamino]-1,2-thiazole-4-carboxylic acid
CID 60870139
N-(3-bromo-5-methylphenyl)-3-pyrazol-1-ylpropanamide
CID 104939286
N-(2,3-dimethylquinoxalin-6-yl)-3-pyrazol-1-ylpropanamide
CID 92596027
3-methyl-5-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]-1,2-thiazole-4-carboxylic acid
CID 60868642
3-methyl-2-(3-pyrazol-1-ylpropanoylamino)butanoic acid
CID 43211036

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(3-pyrazol-1-ylpropanoylamino)-1,2-thiazole-4-carboxylic acid?
The IUPAC name of 3-methyl-5-(3-pyrazol-1-ylpropanoylamino)-1,2-thiazole-4-carboxylic acid (CID 60868636) is 3-methyl-5-(3-pyrazol-1-ylpropanoylamino)-1,2-thiazole-4-carboxylic acid.
What is the SMILES notation for 3-methyl-5-(3-pyrazol-1-ylpropanoylamino)-1,2-thiazole-4-carboxylic acid?
The canonical SMILES for 3-methyl-5-(3-pyrazol-1-ylpropanoylamino)-1,2-thiazole-4-carboxylic acid is Cc1nsc(NC(=O)CCn2cccn2)c1C(=O)O.
What is the InChIKey of 3-methyl-5-(3-pyrazol-1-ylpropanoylamino)-1,2-thiazole-4-carboxylic acid?
The InChIKey is LZVMHSKYPLIQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3S/c1-7-9(11(17)18)10(19-14-7)13-8(16)3-6-15-5-2-4-12-15/h2,4-5H,3,6H2,1H3,(H,13,16)(H,17,18).
What are the key properties of 3-methyl-5-(3-pyrazol-1-ylpropanoylamino)-1,2-thiazole-4-carboxylic acid?
3-methyl-5-(3-pyrazol-1-ylpropanoylamino)-1,2-thiazole-4-carboxylic acid has a molecular weight of 280.31 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(3-pyrazol-1-ylpropanoylamino)-1,2-thiazole-4-carboxylic acid is sourced from PubChem (CID 60868636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).