5-carbamoyl-4-thiophen-2-yl-2,4-dihydroimidazole-3-carboxylic acid

C9H9N3O3S — CID 54026257

IUPAC5-carbamoyl-4-thiophen-2-yl-2,4-dihydroimidazole-3-carboxylic acid
SMILESNC(=O)C1=NCN(C(=O)O)C1c1cccs1
InChIInChI=1S/C9H9N3O3S/c10-8(13)6-7(5-2-1-3-16-5)12(4-11-6)9(14)15/h1-3,7H,4H2,(H2,10,13)(H,14,15)
InChIKeyLCJPWKSUPFXKHC-UHFFFAOYSA-N
MW239.26 g/mol
LogP0.67
Rot. Bonds2

About 5-carbamoyl-4-thiophen-2-yl-2,4-dihydroimidazole-3-carboxylic acid

5-carbamoyl-4-thiophen-2-yl-2,4-dihydroimidazole-3-carboxylic acid (PubChem CID 54026257) has the molecular formula C9H9N3O3S and a molecular weight of 239.26 g/mol. Its IUPAC name is 5-carbamoyl-4-thiophen-2-yl-2,4-dihydroimidazole-3-carboxylic acid.

Molecular Properties

Compound Name5-carbamoyl-4-thiophen-2-yl-2,4-dihydroimidazole-3-carboxylic acid
PubChem CID54026257
Molecular FormulaC9H9N3O3S
Molecular Weight239.26 g/mol
Exact Mass239.04
IUPAC Name5-carbamoyl-4-thiophen-2-yl-2,4-dihydroimidazole-3-carboxylic acid
SMILESNC(=O)C1=NCN(C(=O)O)C1c1cccs1
InChIInChI=1S/C9H9N3O3S/c10-8(13)6-7(5-2-1-3-16-5)12(4-11-6)9(14)15/h1-3,7H,4H2,(H2,10,13)(H,14,15)
InChIKeyLCJPWKSUPFXKHC-UHFFFAOYSA-N
XLogP0.67
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-carbamoyl-4-thiophen-2-yl-2,4-dihydroimidazole-3-carboxylic acid?
The IUPAC name of 5-carbamoyl-4-thiophen-2-yl-2,4-dihydroimidazole-3-carboxylic acid (CID 54026257) is 5-carbamoyl-4-thiophen-2-yl-2,4-dihydroimidazole-3-carboxylic acid.
What is the SMILES notation for 5-carbamoyl-4-thiophen-2-yl-2,4-dihydroimidazole-3-carboxylic acid?
The canonical SMILES for 5-carbamoyl-4-thiophen-2-yl-2,4-dihydroimidazole-3-carboxylic acid is NC(=O)C1=NCN(C(=O)O)C1c1cccs1.
What is the InChIKey of 5-carbamoyl-4-thiophen-2-yl-2,4-dihydroimidazole-3-carboxylic acid?
The InChIKey is LCJPWKSUPFXKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3S/c10-8(13)6-7(5-2-1-3-16-5)12(4-11-6)9(14)15/h1-3,7H,4H2,(H2,10,13)(H,14,15).
What are the key properties of 5-carbamoyl-4-thiophen-2-yl-2,4-dihydroimidazole-3-carboxylic acid?
5-carbamoyl-4-thiophen-2-yl-2,4-dihydroimidazole-3-carboxylic acid has a molecular weight of 239.26 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbamoyl-4-thiophen-2-yl-2,4-dihydroimidazole-3-carboxylic acid is sourced from PubChem (CID 54026257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).