5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]thiophene-2-carboxylic acid

C12H12N2O3S2 — CID 63836819

IUPAC5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]thiophene-2-carboxylic acid
SMILESCc1ncsc1CN(C)C(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C12H12N2O3S2/c1-7-10(18-6-13-7)5-14(2)11(15)8-3-4-9(19-8)12(16)17/h3-4,6H,5H2,1-2H3,(H,16,17)
InChIKeyNHVIDRWGEJJSNH-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.48
Rot. Bonds4

About 5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]thiophene-2-carboxylic acid

5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]thiophene-2-carboxylic acid (PubChem CID 63836819) has the molecular formula C12H12N2O3S2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]thiophene-2-carboxylic acid
PubChem CID63836819
Molecular FormulaC12H12N2O3S2
Molecular Weight296.37 g/mol
Exact Mass296.03
IUPAC Name5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]thiophene-2-carboxylic acid
SMILESCc1ncsc1CN(C)C(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C12H12N2O3S2/c1-7-10(18-6-13-7)5-14(2)11(15)8-3-4-9(19-8)12(16)17/h3-4,6H,5H2,1-2H3,(H,16,17)
InChIKeyNHVIDRWGEJJSNH-UHFFFAOYSA-N
XLogP2.48
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]thiophene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]thiophene-2-carboxylic acid (CID 63836819) is 5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]thiophene-2-carboxylic acid is Cc1ncsc1CN(C)C(=O)c1ccc(C(=O)O)s1.
What is the InChIKey of 5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]thiophene-2-carboxylic acid?
The InChIKey is NHVIDRWGEJJSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S2/c1-7-10(18-6-13-7)5-14(2)11(15)8-3-4-9(19-8)12(16)17/h3-4,6H,5H2,1-2H3,(H,16,17).
What are the key properties of 5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]thiophene-2-carboxylic acid?
5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]thiophene-2-carboxylic acid has a molecular weight of 296.37 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 63836819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).