1-cyclopentyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]ethanol

C17H22N2OS — CID 111425450

IUPAC1-cyclopentyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]ethanol
SMILESOC(CNCc1csc(-c2ccccc2)n1)C1CCCC1
InChIInChI=1S/C17H22N2OS/c20-16(13-6-4-5-7-13)11-18-10-15-12-21-17(19-15)14-8-2-1-3-9-14/h1-3,8-9,12-13,16,18,20H,4-7,10-11H2
InChIKeyKNKLIRIHHSGPMF-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.45
Rot. Bonds6

About 1-cyclopentyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]ethanol

1-cyclopentyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]ethanol (PubChem CID 111425450) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 1-cyclopentyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]ethanol.

Molecular Properties

Compound Name1-cyclopentyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]ethanol
PubChem CID111425450
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name1-cyclopentyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]ethanol
SMILESOC(CNCc1csc(-c2ccccc2)n1)C1CCCC1
InChIInChI=1S/C17H22N2OS/c20-16(13-6-4-5-7-13)11-18-10-15-12-21-17(19-15)14-8-2-1-3-9-14/h1-3,8-9,12-13,16,18,20H,4-7,10-11H2
InChIKeyKNKLIRIHHSGPMF-UHFFFAOYSA-N
XLogP3.45
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]ethanol
CID 111425385
2-(benzylamino)-1-cyclohexylethanol
CID 14342015
1-cyclopentyl-2-[(2-cyclopropyl-1,3-thiazol-4-yl)methylamino]ethanol
CID 111425440
1-(2-fluorophenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]ethanol
CID 110901257
4-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103251563
4-[(2-phenyl-1,3-thiazol-4-yl)methylamino]cyclohexan-1-ol
CID 110878995
1-cyclopentyl-2-(1,3-thiazol-4-ylmethylamino)ethanol
CID 111425443
1-cyclopentyl-2-(thiadiazol-4-ylmethylamino)ethanol
CID 115907469
1-cyclopropyl-2-[(4-phenylthiophen-2-yl)methylamino]ethanol
CID 63298820
1-(2-phenyl-1,3-thiazol-4-yl)propan-2-ol
CID 115089425
1-(2-cyclopentylethyl)-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea
CID 86960431
1-cyclopentyl-2-[(4-fluorophenyl)methylamino]ethanol
CID 111425447

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]ethanol?
The IUPAC name of 1-cyclopentyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]ethanol (CID 111425450) is 1-cyclopentyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]ethanol.
What is the SMILES notation for 1-cyclopentyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]ethanol?
The canonical SMILES for 1-cyclopentyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]ethanol is OC(CNCc1csc(-c2ccccc2)n1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]ethanol?
The InChIKey is KNKLIRIHHSGPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c20-16(13-6-4-5-7-13)11-18-10-15-12-21-17(19-15)14-8-2-1-3-9-14/h1-3,8-9,12-13,16,18,20H,4-7,10-11H2.
What are the key properties of 1-cyclopentyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]ethanol?
1-cyclopentyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]ethanol has a molecular weight of 302.44 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]ethanol is sourced from PubChem (CID 111425450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).