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

C11H11N3O3S — CID 60869932

IUPAC3-methyl-5-[(1-methylpyrrole-2-carbonyl)amino]-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(NC(=O)c2cccn2C)c1C(=O)O
InChIInChI=1S/C11H11N3O3S/c1-6-8(11(16)17)10(18-13-6)12-9(15)7-4-3-5-14(7)2/h3-5H,1-2H3,(H,12,15)(H,16,17)
InChIKeyKYKNGZPKAUNCOS-UHFFFAOYSA-N
MW265.29 g/mol
LogP1.74
Rot. Bonds3

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

3-methyl-5-[(1-methylpyrrole-2-carbonyl)amino]-1,2-thiazole-4-carboxylic acid (PubChem CID 60869932) has the molecular formula C11H11N3O3S and a molecular weight of 265.29 g/mol. Its IUPAC name is 3-methyl-5-[(1-methylpyrrole-2-carbonyl)amino]-1,2-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-[(1-methylpyrrole-2-carbonyl)amino]-1,2-thiazole-4-carboxylic acid
PubChem CID60869932
Molecular FormulaC11H11N3O3S
Molecular Weight265.29 g/mol
Exact Mass265.05
IUPAC Name3-methyl-5-[(1-methylpyrrole-2-carbonyl)amino]-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(NC(=O)c2cccn2C)c1C(=O)O
InChIInChI=1S/C11H11N3O3S/c1-6-8(11(16)17)10(18-13-6)12-9(15)7-4-3-5-14(7)2/h3-5H,1-2H3,(H,12,15)(H,16,17)
InChIKeyKYKNGZPKAUNCOS-UHFFFAOYSA-N
XLogP1.74
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(1-methylpyrrole-2-carbonyl)amino]-1,2-thiazole-4-carboxylic acid?
The IUPAC name of 3-methyl-5-[(1-methylpyrrole-2-carbonyl)amino]-1,2-thiazole-4-carboxylic acid (CID 60869932) is 3-methyl-5-[(1-methylpyrrole-2-carbonyl)amino]-1,2-thiazole-4-carboxylic acid.
What is the SMILES notation for 3-methyl-5-[(1-methylpyrrole-2-carbonyl)amino]-1,2-thiazole-4-carboxylic acid?
The canonical SMILES for 3-methyl-5-[(1-methylpyrrole-2-carbonyl)amino]-1,2-thiazole-4-carboxylic acid is Cc1nsc(NC(=O)c2cccn2C)c1C(=O)O.
What is the InChIKey of 3-methyl-5-[(1-methylpyrrole-2-carbonyl)amino]-1,2-thiazole-4-carboxylic acid?
The InChIKey is KYKNGZPKAUNCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3S/c1-6-8(11(16)17)10(18-13-6)12-9(15)7-4-3-5-14(7)2/h3-5H,1-2H3,(H,12,15)(H,16,17).
What are the key properties of 3-methyl-5-[(1-methylpyrrole-2-carbonyl)amino]-1,2-thiazole-4-carboxylic acid?
3-methyl-5-[(1-methylpyrrole-2-carbonyl)amino]-1,2-thiazole-4-carboxylic acid has a molecular weight of 265.29 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(1-methylpyrrole-2-carbonyl)amino]-1,2-thiazole-4-carboxylic acid is sourced from PubChem (CID 60869932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).