1-[2-(thiophen-3-ylcarbamoylamino)ethyl]imidazole-4-carboxylic acid

C11H12N4O3S — CID 107497772

IUPAC1-[2-(thiophen-3-ylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
SMILESO=C(NCCn1cnc(C(=O)O)c1)Nc1ccsc1
InChIInChI=1S/C11H12N4O3S/c16-10(17)9-5-15(7-13-9)3-2-12-11(18)14-8-1-4-19-6-8/h1,4-7H,2-3H2,(H,16,17)(H2,12,14,18)
InChIKeyAKAKUJIWJUUNBW-UHFFFAOYSA-N
MW280.31 g/mol
LogP1.46
Rot. Bonds5

About 1-[2-(thiophen-3-ylcarbamoylamino)ethyl]imidazole-4-carboxylic acid

1-[2-(thiophen-3-ylcarbamoylamino)ethyl]imidazole-4-carboxylic acid (PubChem CID 107497772) has the molecular formula C11H12N4O3S and a molecular weight of 280.31 g/mol. Its IUPAC name is 1-[2-(thiophen-3-ylcarbamoylamino)ethyl]imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(thiophen-3-ylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
PubChem CID107497772
Molecular FormulaC11H12N4O3S
Molecular Weight280.31 g/mol
Exact Mass280.06
IUPAC Name1-[2-(thiophen-3-ylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
SMILESO=C(NCCn1cnc(C(=O)O)c1)Nc1ccsc1
InChIInChI=1S/C11H12N4O3S/c16-10(17)9-5-15(7-13-9)3-2-12-11(18)14-8-1-4-19-6-8/h1,4-7H,2-3H2,(H,16,17)(H2,12,14,18)
InChIKeyAKAKUJIWJUUNBW-UHFFFAOYSA-N
XLogP1.46
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[2-(thiophen-3-ylcarbamoylamino)ethyl]imidazole-4-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

1-[2-(pyrimidin-2-ylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 107496762
1-[2-(propylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 107496584
1-[2-[(2-bromophenyl)carbamoylamino]ethyl]imidazole-4-carboxylic acid
CID 107496791
1-[2-[(2,6-dihydroxybenzoyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107688299
1-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoylamino]ethyl]imidazole-4-carboxylic acid
CID 107498296
1-(2-aminoethyl)-N-thiophen-3-ylimidazole-4-carboxamide
CID 107499123
1-[2-(1,2,4-triazin-3-ylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 107498367
1-(2-acetamidoethyl)imidazole-4-carboxylic acid
CID 107496341
1-[2-(pyridin-2-ylmethylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 107496820
1-[2-(3,3,3-trifluoropropylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 107497614
1-[2-(2-methylbutan-2-ylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 107496586
1-[2-(pent-3-ynylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 107498352

Frequently Asked Questions

What is the IUPAC name of 1-[2-(thiophen-3-ylcarbamoylamino)ethyl]imidazole-4-carboxylic acid?
The IUPAC name of 1-[2-(thiophen-3-ylcarbamoylamino)ethyl]imidazole-4-carboxylic acid (CID 107497772) is 1-[2-(thiophen-3-ylcarbamoylamino)ethyl]imidazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-(thiophen-3-ylcarbamoylamino)ethyl]imidazole-4-carboxylic acid?
The canonical SMILES for 1-[2-(thiophen-3-ylcarbamoylamino)ethyl]imidazole-4-carboxylic acid is O=C(NCCn1cnc(C(=O)O)c1)Nc1ccsc1.
What is the InChIKey of 1-[2-(thiophen-3-ylcarbamoylamino)ethyl]imidazole-4-carboxylic acid?
The InChIKey is AKAKUJIWJUUNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3S/c16-10(17)9-5-15(7-13-9)3-2-12-11(18)14-8-1-4-19-6-8/h1,4-7H,2-3H2,(H,16,17)(H2,12,14,18).
What are the key properties of 1-[2-(thiophen-3-ylcarbamoylamino)ethyl]imidazole-4-carboxylic acid?
1-[2-(thiophen-3-ylcarbamoylamino)ethyl]imidazole-4-carboxylic acid has a molecular weight of 280.31 g/mol, XLogP of 1.46, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(thiophen-3-ylcarbamoylamino)ethyl]imidazole-4-carboxylic acid is sourced from PubChem (CID 107497772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).