1-(2-aminoethyl)-N-thiophen-3-ylimidazole-4-carboxamide

C10H12N4OS — CID 107499123

IUPAC1-(2-aminoethyl)-N-thiophen-3-ylimidazole-4-carboxamide
SMILESNCCn1cnc(C(=O)Nc2ccsc2)c1
InChIInChI=1S/C10H12N4OS/c11-2-3-14-5-9(12-7-14)10(15)13-8-1-4-16-6-8/h1,4-7H,2-3,11H2,(H,13,15)
InChIKeyPKGLIAPTXNNNHB-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.16
Rot. Bonds4

About 1-(2-aminoethyl)-N-thiophen-3-ylimidazole-4-carboxamide

1-(2-aminoethyl)-N-thiophen-3-ylimidazole-4-carboxamide (PubChem CID 107499123) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-thiophen-3-ylimidazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-thiophen-3-ylimidazole-4-carboxamide
PubChem CID107499123
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC Name1-(2-aminoethyl)-N-thiophen-3-ylimidazole-4-carboxamide
SMILESNCCn1cnc(C(=O)Nc2ccsc2)c1
InChIInChI=1S/C10H12N4OS/c11-2-3-14-5-9(12-7-14)10(15)13-8-1-4-16-6-8/h1,4-7H,2-3,11H2,(H,13,15)
InChIKeyPKGLIAPTXNNNHB-UHFFFAOYSA-N
XLogP1.16
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2-aminoethyl)-N-thiophen-3-ylimidazole-4-carboxamide 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-aminoethyl)-N-(4-iodophenyl)imidazole-4-carboxamide
CID 107495861
1-(2-aminoethyl)-N-(3-carbamoylphenyl)imidazole-4-carboxamide
CID 107497777
1-(2-aminoethyl)-N-[4-(dimethylamino)phenyl]imidazole-4-carboxamide
CID 107496124
1-(2-aminoethyl)-N-(6-oxo-1-propyl-3-pyridinyl)imidazole-4-carboxamide
CID 107496780
5-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]-2-hydroxybenzoic acid
CID 107497446
1-(2-aminoethyl)-N-(4-fluoro-3-methylphenyl)imidazole-4-carboxamide
CID 107498340
1-(2-aminoethyl)-N-(3-bromo-4-methylphenyl)imidazole-4-carboxamide
CID 84605534
1-(2-aminoethyl)-N-(4-propoxyphenyl)imidazole-4-carboxamide
CID 107498222
1-(2-aminoethyl)-N-(3-fluoro-4-methylphenyl)imidazole-4-carboxamide
CID 107495701
1-(2-aminoethyl)-N-(4-bromo-3-fluorophenyl)imidazole-4-carboxamide
CID 107499002
1-(2-aminoethyl)-N-(4-butylphenyl)imidazole-4-carboxamide
CID 107495955
1-(2-aminoethyl)-N-[4-(difluoromethylsulfanyl)phenyl]imidazole-4-carboxamide
CID 107496216

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-thiophen-3-ylimidazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-thiophen-3-ylimidazole-4-carboxamide (CID 107499123) is 1-(2-aminoethyl)-N-thiophen-3-ylimidazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-thiophen-3-ylimidazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-thiophen-3-ylimidazole-4-carboxamide is NCCn1cnc(C(=O)Nc2ccsc2)c1.
What is the InChIKey of 1-(2-aminoethyl)-N-thiophen-3-ylimidazole-4-carboxamide?
The InChIKey is PKGLIAPTXNNNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c11-2-3-14-5-9(12-7-14)10(15)13-8-1-4-16-6-8/h1,4-7H,2-3,11H2,(H,13,15).
What are the key properties of 1-(2-aminoethyl)-N-thiophen-3-ylimidazole-4-carboxamide?
1-(2-aminoethyl)-N-thiophen-3-ylimidazole-4-carboxamide has a molecular weight of 236.30 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-thiophen-3-ylimidazole-4-carboxamide is sourced from PubChem (CID 107499123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).