2-(3-imidazol-1-ylpropylamino)-1-thiophen-3-ylethanol

C12H17N3OS — CID 106435002

IUPAC2-(3-imidazol-1-ylpropylamino)-1-thiophen-3-ylethanol
SMILESOC(CNCCCn1ccnc1)c1ccsc1
InChIInChI=1S/C12H17N3OS/c16-12(11-2-7-17-9-11)8-13-3-1-5-15-6-4-14-10-15/h2,4,6-7,9-10,12-13,16H,1,3,5,8H2
InChIKeyYQGCZZDSULKGQV-UHFFFAOYSA-N
MW251.36 g/mol
LogP1.66
Rot. Bonds7

About 2-(3-imidazol-1-ylpropylamino)-1-thiophen-3-ylethanol

2-(3-imidazol-1-ylpropylamino)-1-thiophen-3-ylethanol (PubChem CID 106435002) has the molecular formula C12H17N3OS and a molecular weight of 251.36 g/mol. Its IUPAC name is 2-(3-imidazol-1-ylpropylamino)-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-(3-imidazol-1-ylpropylamino)-1-thiophen-3-ylethanol
PubChem CID106435002
Molecular FormulaC12H17N3OS
Molecular Weight251.36 g/mol
Exact Mass251.11
IUPAC Name2-(3-imidazol-1-ylpropylamino)-1-thiophen-3-ylethanol
SMILESOC(CNCCCn1ccnc1)c1ccsc1
InChIInChI=1S/C12H17N3OS/c16-12(11-2-7-17-9-11)8-13-3-1-5-15-6-4-14-10-15/h2,4,6-7,9-10,12-13,16H,1,3,5,8H2
InChIKeyYQGCZZDSULKGQV-UHFFFAOYSA-N
XLogP1.66
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.36
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(3-imidazol-1-ylpropylamino)-1-thiophen-3-ylethanol 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

2-(2-imidazol-1-ylethylamino)-1-phenylethanol
CID 60689397
N-(2,2-difluoroethyl)-3-imidazol-1-ylpropan-1-amine
CID 115406678
2-imidazol-1-yl-1-thiophen-3-ylethanamine
CID 130835014
2-[3-(dimethylamino)propylamino]-1-thiophen-3-ylethanol
CID 106435161
1-thiophen-3-yl-2-(4,4,4-trifluorobutylamino)ethanol
CID 106435115
1-(furan-2-yl)-2-(2-imidazol-1-ylethylamino)ethanol
CID 61462995
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(3-imidazol-1-ylpropyl)urea
CID 110893650
N-(3-imidazol-1-ylpropyl)-2-methoxypropan-1-amine
CID 102698134
1-[2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]ethyl]pyridin-2-one
CID 114188509
3-imidazol-1-yl-N-(pyridin-4-ylmethyl)propan-1-amine
CID 15943325
(2R)-N-(3-imidazol-1-ylpropyl)-2-methylpentan-1-amine
CID 28993669
methyl (2S)-3-(3-imidazol-1-ylpropylamino)-2-methylpropanoate
CID 94133695

Frequently Asked Questions

What is the IUPAC name of 2-(3-imidazol-1-ylpropylamino)-1-thiophen-3-ylethanol?
The IUPAC name of 2-(3-imidazol-1-ylpropylamino)-1-thiophen-3-ylethanol (CID 106435002) is 2-(3-imidazol-1-ylpropylamino)-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-(3-imidazol-1-ylpropylamino)-1-thiophen-3-ylethanol?
The canonical SMILES for 2-(3-imidazol-1-ylpropylamino)-1-thiophen-3-ylethanol is OC(CNCCCn1ccnc1)c1ccsc1.
What is the InChIKey of 2-(3-imidazol-1-ylpropylamino)-1-thiophen-3-ylethanol?
The InChIKey is YQGCZZDSULKGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c16-12(11-2-7-17-9-11)8-13-3-1-5-15-6-4-14-10-15/h2,4,6-7,9-10,12-13,16H,1,3,5,8H2.
What are the key properties of 2-(3-imidazol-1-ylpropylamino)-1-thiophen-3-ylethanol?
2-(3-imidazol-1-ylpropylamino)-1-thiophen-3-ylethanol has a molecular weight of 251.36 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-imidazol-1-ylpropylamino)-1-thiophen-3-ylethanol is sourced from PubChem (CID 106435002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).