4-[(2-phenyl-1,3-thiazol-4-yl)methylamino]cyclohexan-1-ol

C16H20N2OS — CID 110878995

IUPAC4-[(2-phenyl-1,3-thiazol-4-yl)methylamino]cyclohexan-1-ol
SMILESOC1CCC(NCc2csc(-c3ccccc3)n2)CC1
InChIInChI=1S/C16H20N2OS/c19-15-8-6-13(7-9-15)17-10-14-11-20-16(18-14)12-4-2-1-3-5-12/h1-5,11,13,15,17,19H,6-10H2
InChIKeyKWSUMHFIYSCGNC-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.20
Rot. Bonds4

About 4-[(2-phenyl-1,3-thiazol-4-yl)methylamino]cyclohexan-1-ol

4-[(2-phenyl-1,3-thiazol-4-yl)methylamino]cyclohexan-1-ol (PubChem CID 110878995) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 4-[(2-phenyl-1,3-thiazol-4-yl)methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(2-phenyl-1,3-thiazol-4-yl)methylamino]cyclohexan-1-ol
PubChem CID110878995
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name4-[(2-phenyl-1,3-thiazol-4-yl)methylamino]cyclohexan-1-ol
SMILESOC1CCC(NCc2csc(-c3ccccc3)n2)CC1
InChIInChI=1S/C16H20N2OS/c19-15-8-6-13(7-9-15)17-10-14-11-20-16(18-14)12-4-2-1-3-5-12/h1-5,11,13,15,17,19H,6-10H2
InChIKeyKWSUMHFIYSCGNC-UHFFFAOYSA-N
XLogP3.20
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(4-cyclopropylphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 79980823
N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 60716130
N-[[2-[3-(difluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 115528210
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine
CID 43234356
N-(4-hydroxycyclohexyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 78810994
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-4-methylcyclohexan-1-amine
CID 43407865
N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 61281503
N-[[2-(3-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 61281646
N-[[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 61281058
1-cyclopentyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]ethanol
CID 111425450
N-[[2-(2-phenyltriazol-4-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 61281692
N-[[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 61282037

Frequently Asked Questions

What is the IUPAC name of 4-[(2-phenyl-1,3-thiazol-4-yl)methylamino]cyclohexan-1-ol?
The IUPAC name of 4-[(2-phenyl-1,3-thiazol-4-yl)methylamino]cyclohexan-1-ol (CID 110878995) is 4-[(2-phenyl-1,3-thiazol-4-yl)methylamino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(2-phenyl-1,3-thiazol-4-yl)methylamino]cyclohexan-1-ol?
The canonical SMILES for 4-[(2-phenyl-1,3-thiazol-4-yl)methylamino]cyclohexan-1-ol is OC1CCC(NCc2csc(-c3ccccc3)n2)CC1.
What is the InChIKey of 4-[(2-phenyl-1,3-thiazol-4-yl)methylamino]cyclohexan-1-ol?
The InChIKey is KWSUMHFIYSCGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c19-15-8-6-13(7-9-15)17-10-14-11-20-16(18-14)12-4-2-1-3-5-12/h1-5,11,13,15,17,19H,6-10H2.
What are the key properties of 4-[(2-phenyl-1,3-thiazol-4-yl)methylamino]cyclohexan-1-ol?
4-[(2-phenyl-1,3-thiazol-4-yl)methylamino]cyclohexan-1-ol has a molecular weight of 288.42 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-phenyl-1,3-thiazol-4-yl)methylamino]cyclohexan-1-ol is sourced from PubChem (CID 110878995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).