1-(3-chlorophenyl)-2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]ethanol

C16H19ClN2OS — CID 111916295

IUPAC1-(3-chlorophenyl)-2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]ethanol
SMILESOC(CNC1(c2nccs2)CCCC1)c1cccc(Cl)c1
InChIInChI=1S/C16H19ClN2OS/c17-13-5-3-4-12(10-13)14(20)11-19-16(6-1-2-7-16)15-18-8-9-21-15/h3-5,8-10,14,19-20H,1-2,6-7,11H2
InChIKeyZUZLGQDNDZEKFO-UHFFFAOYSA-N
MW322.86 g/mol
LogP3.89
Rot. Bonds5

About 1-(3-chlorophenyl)-2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]ethanol

1-(3-chlorophenyl)-2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]ethanol (PubChem CID 111916295) has the molecular formula C16H19ClN2OS and a molecular weight of 322.86 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]ethanol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]ethanol
PubChem CID111916295
Molecular FormulaC16H19ClN2OS
Molecular Weight322.86 g/mol
Exact Mass322.09
IUPAC Name1-(3-chlorophenyl)-2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]ethanol
SMILESOC(CNC1(c2nccs2)CCCC1)c1cccc(Cl)c1
InChIInChI=1S/C16H19ClN2OS/c17-13-5-3-4-12(10-13)14(20)11-19-16(6-1-2-7-16)15-18-8-9-21-15/h3-5,8-10,14,19-20H,1-2,6-7,11H2
InChIKeyZUZLGQDNDZEKFO-UHFFFAOYSA-N
XLogP3.89
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.86
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-difluorophenyl)-2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]ethanol
CID 111916297
1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(1,3-thiazol-2-yl)urea
CID 94024697
N-[2-(3-chlorophenyl)-2-hydroxyethyl]-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
CID 139768814
(1R)-2-chloro-1-(3-chlorophenyl)ethanol
CID 10375278
methyl (3R)-3-(3-chlorophenyl)-3-hydroxypropanoate
CID 15081586
N-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]pyridine-4-carboxamide
CID 51725997
N-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]pyridine-4-carboxamide
CID 51725998
1-(3-chlorophenyl)-N-methyl-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide
CID 55642429
2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol
CID 52904788
1-(3-methoxyphenyl)-2-[(1-methylcyclohexyl)amino]ethanol
CID 81133448
2-[2-(4-benzylphenyl)ethylamino]-1-(3-chlorophenyl)ethanol
CID 14368692
N-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]cyclohexanecarboxamide
CID 51941928

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]ethanol?
The IUPAC name of 1-(3-chlorophenyl)-2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]ethanol (CID 111916295) is 1-(3-chlorophenyl)-2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]ethanol.
What is the SMILES notation for 1-(3-chlorophenyl)-2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]ethanol?
The canonical SMILES for 1-(3-chlorophenyl)-2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]ethanol is OC(CNC1(c2nccs2)CCCC1)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]ethanol?
The InChIKey is ZUZLGQDNDZEKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2OS/c17-13-5-3-4-12(10-13)14(20)11-19-16(6-1-2-7-16)15-18-8-9-21-15/h3-5,8-10,14,19-20H,1-2,6-7,11H2.
What are the key properties of 1-(3-chlorophenyl)-2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]ethanol?
1-(3-chlorophenyl)-2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]ethanol has a molecular weight of 322.86 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]ethanol is sourced from PubChem (CID 111916295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).