5-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid

C10H9N3O4S — CID 63615815

IUPAC5-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(NC(=O)c2c[nH]c(=O)[nH]2)s1
InChIInChI=1S/C10H9N3O4S/c1-4-2-5(9(15)16)8(18-4)13-7(14)6-3-11-10(17)12-6/h2-3H,1H3,(H,13,14)(H,15,16)(H2,11,12,17)
InChIKeyGQCCSFQPOFQVPV-UHFFFAOYSA-N
MW267.27 g/mol
LogP1.02
Rot. Bonds3

About 5-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid

5-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid (PubChem CID 63615815) has the molecular formula C10H9N3O4S and a molecular weight of 267.27 g/mol. Its IUPAC name is 5-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid
PubChem CID63615815
Molecular FormulaC10H9N3O4S
Molecular Weight267.27 g/mol
Exact Mass267.03
IUPAC Name5-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(NC(=O)c2c[nH]c(=O)[nH]2)s1
InChIInChI=1S/C10H9N3O4S/c1-4-2-5(9(15)16)8(18-4)13-7(14)6-3-11-10(17)12-6/h2-3H,1H3,(H,13,14)(H,15,16)(H2,11,12,17)
InChIKeyGQCCSFQPOFQVPV-UHFFFAOYSA-N
XLogP1.02
TPSA115.05 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 51.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid?
The IUPAC name of 5-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid (CID 63615815) is 5-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid?
The canonical SMILES for 5-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid is Cc1cc(C(=O)O)c(NC(=O)c2c[nH]c(=O)[nH]2)s1.
What is the InChIKey of 5-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid?
The InChIKey is GQCCSFQPOFQVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O4S/c1-4-2-5(9(15)16)8(18-4)13-7(14)6-3-11-10(17)12-6/h2-3H,1H3,(H,13,14)(H,15,16)(H2,11,12,17).
What are the key properties of 5-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid?
5-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid has a molecular weight of 267.27 g/mol, XLogP of 1.02, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 63615815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).