3-methyl-5-[methyl(1H-pyrrole-2-carbonyl)amino]-1,2-thiazole-4-carboxylic acid

C11H11N3O3S — CID 79402389

IUPAC3-methyl-5-[methyl(1H-pyrrole-2-carbonyl)amino]-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(N(C)C(=O)c2ccc[nH]2)c1C(=O)O
InChIInChI=1S/C11H11N3O3S/c1-6-8(11(16)17)10(18-13-6)14(2)9(15)7-4-3-5-12-7/h3-5,12H,1-2H3,(H,16,17)
InChIKeySFWJYFYGKBCQCM-UHFFFAOYSA-N
MW265.29 g/mol
LogP1.75
Rot. Bonds3

About 3-methyl-5-[methyl(1H-pyrrole-2-carbonyl)amino]-1,2-thiazole-4-carboxylic acid

3-methyl-5-[methyl(1H-pyrrole-2-carbonyl)amino]-1,2-thiazole-4-carboxylic acid (PubChem CID 79402389) has the molecular formula C11H11N3O3S and a molecular weight of 265.29 g/mol. Its IUPAC name is 3-methyl-5-[methyl(1H-pyrrole-2-carbonyl)amino]-1,2-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-[methyl(1H-pyrrole-2-carbonyl)amino]-1,2-thiazole-4-carboxylic acid
PubChem CID79402389
Molecular FormulaC11H11N3O3S
Molecular Weight265.29 g/mol
Exact Mass265.05
IUPAC Name3-methyl-5-[methyl(1H-pyrrole-2-carbonyl)amino]-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(N(C)C(=O)c2ccc[nH]2)c1C(=O)O
InChIInChI=1S/C11H11N3O3S/c1-6-8(11(16)17)10(18-13-6)14(2)9(15)7-4-3-5-12-7/h3-5,12H,1-2H3,(H,16,17)
InChIKeySFWJYFYGKBCQCM-UHFFFAOYSA-N
XLogP1.75
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-5-[methyl-(5-nitro-1H-pyrrole-2-carbonyl)amino]-1,2-thiazole-4-carboxylic acid
CID 79397357
5-[(2-aminobenzoyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79402906
5-[(2-chloro-6-fluorobenzoyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79397655
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-[(2,4-dichlorobenzoyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79397478
5-[(2,5-difluorobenzoyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79397486
5-[(4-fluoro-3-methylbenzoyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79397367
5-[(3-cyanobenzoyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79397222
5-[(5-bromo-2-chlorobenzoyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79397515
5-[(2,5-dimethylpyrazole-3-carbonyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79402944
3-methyl-5-[methyl-[(3-methylphenyl)carbamoyl]amino]-1,2-thiazole-4-carboxylic acid
CID 79397907

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[methyl(1H-pyrrole-2-carbonyl)amino]-1,2-thiazole-4-carboxylic acid?
The IUPAC name of 3-methyl-5-[methyl(1H-pyrrole-2-carbonyl)amino]-1,2-thiazole-4-carboxylic acid (CID 79402389) is 3-methyl-5-[methyl(1H-pyrrole-2-carbonyl)amino]-1,2-thiazole-4-carboxylic acid.
What is the SMILES notation for 3-methyl-5-[methyl(1H-pyrrole-2-carbonyl)amino]-1,2-thiazole-4-carboxylic acid?
The canonical SMILES for 3-methyl-5-[methyl(1H-pyrrole-2-carbonyl)amino]-1,2-thiazole-4-carboxylic acid is Cc1nsc(N(C)C(=O)c2ccc[nH]2)c1C(=O)O.
What is the InChIKey of 3-methyl-5-[methyl(1H-pyrrole-2-carbonyl)amino]-1,2-thiazole-4-carboxylic acid?
The InChIKey is SFWJYFYGKBCQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3S/c1-6-8(11(16)17)10(18-13-6)14(2)9(15)7-4-3-5-12-7/h3-5,12H,1-2H3,(H,16,17).
What are the key properties of 3-methyl-5-[methyl(1H-pyrrole-2-carbonyl)amino]-1,2-thiazole-4-carboxylic acid?
3-methyl-5-[methyl(1H-pyrrole-2-carbonyl)amino]-1,2-thiazole-4-carboxylic acid has a molecular weight of 265.29 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[methyl(1H-pyrrole-2-carbonyl)amino]-1,2-thiazole-4-carboxylic acid is sourced from PubChem (CID 79402389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).