N-(3-imidazol-1-ylpropyl)thiophen-2-amine

C10H13N3S — CID 91018147

IUPACN-(3-imidazol-1-ylpropyl)thiophen-2-amine
SMILESc1csc(NCCCn2ccnc2)c1
InChIInChI=1S/C10H13N3S/c1-3-10(14-8-1)12-4-2-6-13-7-5-11-9-13/h1,3,5,7-9,12H,2,4,6H2
InChIKeyIENVUJRWECMOLS-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.45
Rot. Bonds5

About N-(3-imidazol-1-ylpropyl)thiophen-2-amine

N-(3-imidazol-1-ylpropyl)thiophen-2-amine (PubChem CID 91018147) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)thiophen-2-amine.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)thiophen-2-amine
PubChem CID91018147
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC NameN-(3-imidazol-1-ylpropyl)thiophen-2-amine
SMILESc1csc(NCCCn2ccnc2)c1
InChIInChI=1S/C10H13N3S/c1-3-10(14-8-1)12-4-2-6-13-7-5-11-9-13/h1,3,5,7-9,12H,2,4,6H2
InChIKeyIENVUJRWECMOLS-UHFFFAOYSA-N
XLogP2.45
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-imidazol-1-ylpropyl)thiophen-2-amine 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

N-(3-imidazol-1-ylpropyl)thiophene-2-carbothioamide
CID 24994520
N-(4-imidazol-1-ylbutyl)thiophene-2-carboxamide
CID 13371093
N-(6-imidazol-1-ylhexyl)thiophene-2-carboxamide
CID 110442375
N-(3-imidazol-1-ylpropyl)-1-methylpyrazol-3-amine
CID 79778766
N-[cyclopentyl(thiophen-2-yl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 43773858
2,3,4,5,6-pentafluoro-N-(3-imidazol-1-ylpropyl)aniline
CID 28826187
N-(3-imidazol-1-ylpropyl)pyrimidin-5-amine
CID 82539235
3-imidazol-1-yl-N-(pyridin-4-ylmethyl)propan-1-amine
CID 15943325
5-bromo-N-(3-imidazol-1-ylpropyl)-1,3,4-thiadiazol-2-amine
CID 64623662
N-(2-imidazol-1-ylethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 60697416
4-N,6-N-bis(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine
CID 19154189
(1S)-3-imidazol-1-yl-1-thiophen-2-ylpropan-1-ol
CID 129406015

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)thiophen-2-amine?
The IUPAC name of N-(3-imidazol-1-ylpropyl)thiophen-2-amine (CID 91018147) is N-(3-imidazol-1-ylpropyl)thiophen-2-amine.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)thiophen-2-amine?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)thiophen-2-amine is c1csc(NCCCn2ccnc2)c1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)thiophen-2-amine?
The InChIKey is IENVUJRWECMOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c1-3-10(14-8-1)12-4-2-6-13-7-5-11-9-13/h1,3,5,7-9,12H,2,4,6H2.
What are the key properties of N-(3-imidazol-1-ylpropyl)thiophen-2-amine?
N-(3-imidazol-1-ylpropyl)thiophen-2-amine has a molecular weight of 207.30 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)thiophen-2-amine is sourced from PubChem (CID 91018147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).