2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]thiophene-3-carboxylic acid

C12H11N3O4S2 — CID 43357463

IUPAC2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]thiophene-3-carboxylic acid
SMILESCSc1nc(=O)[nH]c(C)c1C(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C12H11N3O4S2/c1-5-7(10(20-2)15-12(19)13-5)8(16)14-9-6(11(17)18)3-4-21-9/h3-4H,1-2H3,(H,14,16)(H,17,18)(H,13,15,19)
InChIKeyNJMVWGVVXGPDFM-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.81
Rot. Bonds4

About 2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]thiophene-3-carboxylic acid

2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]thiophene-3-carboxylic acid (PubChem CID 43357463) has the molecular formula C12H11N3O4S2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]thiophene-3-carboxylic acid
PubChem CID43357463
Molecular FormulaC12H11N3O4S2
Molecular Weight325.37 g/mol
Exact Mass325.02
IUPAC Name2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]thiophene-3-carboxylic acid
SMILESCSc1nc(=O)[nH]c(C)c1C(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C12H11N3O4S2/c1-5-7(10(20-2)15-12(19)13-5)8(16)14-9-6(11(17)18)3-4-21-9/h3-4H,1-2H3,(H,14,16)(H,17,18)(H,13,15,19)
InChIKeyNJMVWGVVXGPDFM-UHFFFAOYSA-N
XLogP1.81
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]thiophene-3-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

Related Compounds

2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]thiophene-3-carboxylic acid
CID 43357351
2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]thiophene-3-carboxylic acid
CID 43357398
N-(2-hydroxy-3-methylbutyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
CID 115746127
N-(3-hydroxy-2-methylpropyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
CID 65037506
N-(3-hydroxypropyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
CID 43500355
N-cyclopentyloxy-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
CID 83217255
N-[1-(hydroxymethyl)cyclopentyl]-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
CID 62517553
2-methyl-5-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]pentanoic acid
CID 104682064
6-methyl-4-methylsulfanyl-2-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrimidine-5-carboxamide
CID 103741517
2-[(6-oxo-1H-pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid
CID 114040056
2-[(4-methylthiophene-3-carbonyl)amino]thiophene-3-carboxylic acid
CID 79802577
2-benzamidothiophene-3-carboxylic acid
CID 16639461

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]thiophene-3-carboxylic acid?
The IUPAC name of 2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]thiophene-3-carboxylic acid (CID 43357463) is 2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]thiophene-3-carboxylic acid is CSc1nc(=O)[nH]c(C)c1C(=O)Nc1sccc1C(=O)O.
What is the InChIKey of 2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]thiophene-3-carboxylic acid?
The InChIKey is NJMVWGVVXGPDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4S2/c1-5-7(10(20-2)15-12(19)13-5)8(16)14-9-6(11(17)18)3-4-21-9/h3-4H,1-2H3,(H,14,16)(H,17,18)(H,13,15,19).
What are the key properties of 2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]thiophene-3-carboxylic acid?
2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]thiophene-3-carboxylic acid has a molecular weight of 325.37 g/mol, XLogP of 1.81, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 43357463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).