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

C17H22N2OS — CID 103684804

IUPAC[2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]cyclohexyl]methanol
SMILESOCC1CCCCC1NCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H22N2OS/c20-11-14-8-4-5-9-15(14)18-10-17-19-16(12-21-17)13-6-2-1-3-7-13/h1-3,6-7,12,14-15,18,20H,4-5,8-11H2
InChIKeyBTPXMQDFJWFTIZ-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.45
Rot. Bonds5

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

[2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]cyclohexyl]methanol (PubChem CID 103684804) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is [2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]cyclohexyl]methanol
PubChem CID103684804
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name[2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]cyclohexyl]methanol
SMILESOCC1CCCCC1NCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H22N2OS/c20-11-14-8-4-5-9-15(14)18-10-17-19-16(12-21-17)13-6-2-1-3-7-13/h1-3,6-7,12,14-15,18,20H,4-5,8-11H2
InChIKeyBTPXMQDFJWFTIZ-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-amine
CID 62901090
2-cyclopentyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 62900718
2,2-dimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-amine
CID 79832136
1,3-dimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
CID 115615393
[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]cyclohexyl]methanol
CID 104934517
2,2,3,3-tetramethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclopropan-1-amine
CID 79359346
2-[(2-chlorocycloheptyl)methyl]-4-phenyl-1,3-thiazole
CID 79816966
2-cyclopropyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 103700231
N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-(thian-2-yl)methanamine
CID 80600570
[1-[(4-phenyl-1,3-thiazol-2-yl)methylamino]cyclohexyl]methanol
CID 62900743
1,1-dioxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]thiolan-3-amine
CID 62900326
[2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol
CID 106359839

Frequently Asked Questions

What is the IUPAC name of [2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]cyclohexyl]methanol?
The IUPAC name of [2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]cyclohexyl]methanol (CID 103684804) is [2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]cyclohexyl]methanol.
What is the SMILES notation for [2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]cyclohexyl]methanol?
The canonical SMILES for [2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]cyclohexyl]methanol is OCC1CCCCC1NCc1nc(-c2ccccc2)cs1.
What is the InChIKey of [2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]cyclohexyl]methanol?
The InChIKey is BTPXMQDFJWFTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c20-11-14-8-4-5-9-15(14)18-10-17-19-16(12-21-17)13-6-2-1-3-7-13/h1-3,6-7,12,14-15,18,20H,4-5,8-11H2.
What are the key properties of [2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]cyclohexyl]methanol?
[2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]cyclohexyl]methanol has a molecular weight of 302.44 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]cyclohexyl]methanol is sourced from PubChem (CID 103684804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).