5-[(2,5-dimethylpyrazole-3-carbonyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid

C12H14N4O3S — CID 79402944

IUPAC5-[(2,5-dimethylpyrazole-3-carbonyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCc1cc(C(=O)N(C)c2snc(C)c2C(=O)O)n(C)n1
InChIInChI=1S/C12H14N4O3S/c1-6-5-8(16(4)13-6)10(17)15(3)11-9(12(18)19)7(2)14-20-11/h5H,1-4H3,(H,18,19)
InChIKeyQZQYVKPVCYDXQP-UHFFFAOYSA-N
MW294.34 g/mol
LogP1.47
Rot. Bonds3

About 5-[(2,5-dimethylpyrazole-3-carbonyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid

5-[(2,5-dimethylpyrazole-3-carbonyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid (PubChem CID 79402944) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is 5-[(2,5-dimethylpyrazole-3-carbonyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(2,5-dimethylpyrazole-3-carbonyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
PubChem CID79402944
Molecular FormulaC12H14N4O3S
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC Name5-[(2,5-dimethylpyrazole-3-carbonyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCc1cc(C(=O)N(C)c2snc(C)c2C(=O)O)n(C)n1
InChIInChI=1S/C12H14N4O3S/c1-6-5-8(16(4)13-6)10(17)15(3)11-9(12(18)19)7(2)14-20-11/h5H,1-4H3,(H,18,19)
InChIKeyQZQYVKPVCYDXQP-UHFFFAOYSA-N
XLogP1.47
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79397625
5-[(3-ethyl-1-methylpyrazole-4-carbonyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 102810255
3-methyl-5-[methyl(thiadiazole-5-carbonyl)amino]-1,2-thiazole-4-carboxylic acid
CID 79402237
5-[(2,5-dichlorobenzoyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79397341
5-[(4-fluoro-3-methylbenzoyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79397367
5-[(2,5-difluorobenzoyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79397486
5-[(2,4-dichlorobenzoyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79397478
3-methyl-5-[methyl(1H-pyrrole-2-carbonyl)amino]-1,2-thiazole-4-carboxylic acid
CID 79402389
5-[(2-aminobenzoyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79402906
5-[(5-bromo-2-chlorobenzoyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79397515
5-[2,2-dimethylpropanoyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79401922
5-[(3-cyanobenzoyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79397222

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dimethylpyrazole-3-carbonyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The IUPAC name of 5-[(2,5-dimethylpyrazole-3-carbonyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid (CID 79402944) is 5-[(2,5-dimethylpyrazole-3-carbonyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[(2,5-dimethylpyrazole-3-carbonyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[(2,5-dimethylpyrazole-3-carbonyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid is Cc1cc(C(=O)N(C)c2snc(C)c2C(=O)O)n(C)n1.
What is the InChIKey of 5-[(2,5-dimethylpyrazole-3-carbonyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The InChIKey is QZQYVKPVCYDXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S/c1-6-5-8(16(4)13-6)10(17)15(3)11-9(12(18)19)7(2)14-20-11/h5H,1-4H3,(H,18,19).
What are the key properties of 5-[(2,5-dimethylpyrazole-3-carbonyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid?
5-[(2,5-dimethylpyrazole-3-carbonyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid has a molecular weight of 294.34 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dimethylpyrazole-3-carbonyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid is sourced from PubChem (CID 79402944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).