2-(1H-imidazol-5-ylmethylamino)-1-thiophen-2-ylethanol

C10H13N3OS — CID 115641917

IUPAC2-(1H-imidazol-5-ylmethylamino)-1-thiophen-2-ylethanol
SMILESOC(CNCc1cnc[nH]1)c1cccs1
InChIInChI=1S/C10H13N3OS/c14-9(10-2-1-3-15-10)6-11-4-8-5-12-7-13-8/h1-3,5,7,9,11,14H,4,6H2,(H,12,13)
InChIKeyAQMXENDFPAZJOB-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.29
Rot. Bonds5

About 2-(1H-imidazol-5-ylmethylamino)-1-thiophen-2-ylethanol

2-(1H-imidazol-5-ylmethylamino)-1-thiophen-2-ylethanol (PubChem CID 115641917) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is 2-(1H-imidazol-5-ylmethylamino)-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name2-(1H-imidazol-5-ylmethylamino)-1-thiophen-2-ylethanol
PubChem CID115641917
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name2-(1H-imidazol-5-ylmethylamino)-1-thiophen-2-ylethanol
SMILESOC(CNCc1cnc[nH]1)c1cccs1
InChIInChI=1S/C10H13N3OS/c14-9(10-2-1-3-15-10)6-11-4-8-5-12-7-13-8/h1-3,5,7,9,11,14H,4,6H2,(H,12,13)
InChIKeyAQMXENDFPAZJOB-UHFFFAOYSA-N
XLogP1.29
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-imidazol-5-ylmethyl)-2-methyl-3-thiophen-2-ylpropan-1-amine
CID 115655102
2-[(4-ethylphenyl)methylamino]-1-thiophen-2-ylethanol
CID 113239709
(1R)-2-(propylamino)-1-thiophen-2-ylethanol
CID 39237770
5-(3-thiophen-2-ylbutyl)-1H-imidazole
CID 57202794
3-[(2-hydroxy-2-thiophen-2-ylethyl)amino]propane-1,2-diol
CID 66175713
N-(1H-imidazol-5-ylmethyl)-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588712
2-[(2-methylpyrazol-3-yl)methylamino]-1-thiophen-2-ylethanol
CID 63302557
2-(2-ethylbutylamino)-1-thiophen-2-ylethanol
CID 115756931
2-(methylamino)-1-thiophen-2-ylethanol
CID 22498745
2-[(3-ethyl-2-pyridinyl)methylamino]-1-thiophen-2-ylethanol
CID 82738388
1-N-(1H-imidazol-5-ylmethyl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 62761952
2-(3,3-dimethylbutylamino)-1-thiophen-2-ylethanol
CID 115581040

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-5-ylmethylamino)-1-thiophen-2-ylethanol?
The IUPAC name of 2-(1H-imidazol-5-ylmethylamino)-1-thiophen-2-ylethanol (CID 115641917) is 2-(1H-imidazol-5-ylmethylamino)-1-thiophen-2-ylethanol.
What is the SMILES notation for 2-(1H-imidazol-5-ylmethylamino)-1-thiophen-2-ylethanol?
The canonical SMILES for 2-(1H-imidazol-5-ylmethylamino)-1-thiophen-2-ylethanol is OC(CNCc1cnc[nH]1)c1cccs1.
What is the InChIKey of 2-(1H-imidazol-5-ylmethylamino)-1-thiophen-2-ylethanol?
The InChIKey is AQMXENDFPAZJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c14-9(10-2-1-3-15-10)6-11-4-8-5-12-7-13-8/h1-3,5,7,9,11,14H,4,6H2,(H,12,13).
What are the key properties of 2-(1H-imidazol-5-ylmethylamino)-1-thiophen-2-ylethanol?
2-(1H-imidazol-5-ylmethylamino)-1-thiophen-2-ylethanol has a molecular weight of 223.30 g/mol, XLogP of 1.29, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-ylmethylamino)-1-thiophen-2-ylethanol is sourced from PubChem (CID 115641917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).