[1-[(4-phenyl-1,3-thiazol-2-yl)methylamino]cyclohexyl]methanol

C17H22N2OS — CID 62900743

IUPAC[1-[(4-phenyl-1,3-thiazol-2-yl)methylamino]cyclohexyl]methanol
SMILESOCC1(NCc2nc(-c3ccccc3)cs2)CCCCC1
InChIInChI=1S/C17H22N2OS/c20-13-17(9-5-2-6-10-17)18-11-16-19-15(12-21-16)14-7-3-1-4-8-14/h1,3-4,7-8,12,18,20H,2,5-6,9-11,13H2
InChIKeyGPRIVJMHOCQIBO-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.59
Rot. Bonds5

About [1-[(4-phenyl-1,3-thiazol-2-yl)methylamino]cyclohexyl]methanol

[1-[(4-phenyl-1,3-thiazol-2-yl)methylamino]cyclohexyl]methanol (PubChem CID 62900743) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is [1-[(4-phenyl-1,3-thiazol-2-yl)methylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(4-phenyl-1,3-thiazol-2-yl)methylamino]cyclohexyl]methanol
PubChem CID62900743
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name[1-[(4-phenyl-1,3-thiazol-2-yl)methylamino]cyclohexyl]methanol
SMILESOCC1(NCc2nc(-c3ccccc3)cs2)CCCCC1
InChIInChI=1S/C17H22N2OS/c20-13-17(9-5-2-6-10-17)18-11-16-19-15(12-21-16)14-7-3-1-4-8-14/h1,3-4,7-8,12,18,20H,2,5-6,9-11,13H2
InChIKeyGPRIVJMHOCQIBO-UHFFFAOYSA-N
XLogP3.59
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine
CID 62900910
1-[[(4-phenyl-1,3-thiazol-2-yl)methylamino]methyl]cyclopentan-1-ol
CID 63934325
1-(1-hydroxycyclohexyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone
CID 103449748
[1-[(5-phenyl-2H-triazol-4-yl)methylamino]cyclohexyl]methanol
CID 63642101
[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]cyclohexyl]methanol
CID 62521004
N-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62543018
2,2,3,3-tetramethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclopropan-1-amine
CID 79359346
4-[[(4-phenyl-1,3-thiazol-2-yl)methylamino]methyl]oxan-4-ol
CID 78942180
N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-2-piperidin-1-ylethanamine
CID 62900558
2,2-dimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-amine
CID 79832136
[2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]cyclohexyl]methanol
CID 103684804
3-ethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pentan-3-amine
CID 65039690

Frequently Asked Questions

What is the IUPAC name of [1-[(4-phenyl-1,3-thiazol-2-yl)methylamino]cyclohexyl]methanol?
The IUPAC name of [1-[(4-phenyl-1,3-thiazol-2-yl)methylamino]cyclohexyl]methanol (CID 62900743) is [1-[(4-phenyl-1,3-thiazol-2-yl)methylamino]cyclohexyl]methanol.
What is the SMILES notation for [1-[(4-phenyl-1,3-thiazol-2-yl)methylamino]cyclohexyl]methanol?
The canonical SMILES for [1-[(4-phenyl-1,3-thiazol-2-yl)methylamino]cyclohexyl]methanol is OCC1(NCc2nc(-c3ccccc3)cs2)CCCCC1.
What is the InChIKey of [1-[(4-phenyl-1,3-thiazol-2-yl)methylamino]cyclohexyl]methanol?
The InChIKey is GPRIVJMHOCQIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c20-13-17(9-5-2-6-10-17)18-11-16-19-15(12-21-16)14-7-3-1-4-8-14/h1,3-4,7-8,12,18,20H,2,5-6,9-11,13H2.
What are the key properties of [1-[(4-phenyl-1,3-thiazol-2-yl)methylamino]cyclohexyl]methanol?
[1-[(4-phenyl-1,3-thiazol-2-yl)methylamino]cyclohexyl]methanol has a molecular weight of 302.44 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-phenyl-1,3-thiazol-2-yl)methylamino]cyclohexyl]methanol is sourced from PubChem (CID 62900743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).