2-[[(5-chloro-1,3-thiazol-2-yl)methylamino]methyl]cyclohexan-1-ol

C11H17ClN2OS — CID 104879210

IUPAC2-[[(5-chloro-1,3-thiazol-2-yl)methylamino]methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CNCc1ncc(Cl)s1
InChIInChI=1S/C11H17ClN2OS/c12-10-6-14-11(16-10)7-13-5-8-3-1-2-4-9(8)15/h6,8-9,13,15H,1-5,7H2
InChIKeyKTVQGKOCGLRUEV-UHFFFAOYSA-N
MW260.79 g/mol
LogP2.44
Rot. Bonds4

About 2-[[(5-chloro-1,3-thiazol-2-yl)methylamino]methyl]cyclohexan-1-ol

2-[[(5-chloro-1,3-thiazol-2-yl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 104879210) has the molecular formula C11H17ClN2OS and a molecular weight of 260.79 g/mol. Its IUPAC name is 2-[[(5-chloro-1,3-thiazol-2-yl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[(5-chloro-1,3-thiazol-2-yl)methylamino]methyl]cyclohexan-1-ol
PubChem CID104879210
Molecular FormulaC11H17ClN2OS
Molecular Weight260.79 g/mol
Exact Mass260.08
IUPAC Name2-[[(5-chloro-1,3-thiazol-2-yl)methylamino]methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CNCc1ncc(Cl)s1
InChIInChI=1S/C11H17ClN2OS/c12-10-6-14-11(16-10)7-13-5-8-3-1-2-4-9(8)15/h6,8-9,13,15H,1-5,7H2
InChIKeyKTVQGKOCGLRUEV-UHFFFAOYSA-N
XLogP2.44
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.79
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(5-chloro-1,3-thiazol-2-yl)methylamino]methyl]cyclopentan-1-ol
CID 104879247
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(thian-4-yl)methanamine
CID 104879104
2-[[(2-ethyl-1,3-thiazol-5-yl)methylamino]methyl]cyclohexan-1-ol
CID 64927098
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-ethylcyclohexan-1-amine
CID 104878566
2-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]cyclohexan-1-ol
CID 102836063
2-[[(2-chlorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 64926908
2-[[(2-chloro-3-pyridinyl)methylamino]methyl]cyclopentan-1-ol
CID 115656377
trans-(1S,2S)-2-[(benzylamino)methyl]cyclohexan-1-ol
CID 2733721
N-[(5-chloro-1,3-thiazol-2-yl)methyl]prop-2-yn-1-amine
CID 104878439
2-[[(2,3,6-trichlorophenyl)methylamino]methyl]cyclopentan-1-ol
CID 79025608
2-[[(5-chloro-1,3-thiazol-2-yl)methylamino]methyl]-2-ethylbutan-1-ol
CID 104879510
1-(5-chloro-1,3-thiazol-2-yl)-N-[(1-methylcyclohexyl)methyl]methanamine
CID 104879340

Frequently Asked Questions

What is the IUPAC name of 2-[[(5-chloro-1,3-thiazol-2-yl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[(5-chloro-1,3-thiazol-2-yl)methylamino]methyl]cyclohexan-1-ol (CID 104879210) is 2-[[(5-chloro-1,3-thiazol-2-yl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[(5-chloro-1,3-thiazol-2-yl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[(5-chloro-1,3-thiazol-2-yl)methylamino]methyl]cyclohexan-1-ol is OC1CCCCC1CNCc1ncc(Cl)s1.
What is the InChIKey of 2-[[(5-chloro-1,3-thiazol-2-yl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is KTVQGKOCGLRUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2OS/c12-10-6-14-11(16-10)7-13-5-8-3-1-2-4-9(8)15/h6,8-9,13,15H,1-5,7H2.
What are the key properties of 2-[[(5-chloro-1,3-thiazol-2-yl)methylamino]methyl]cyclohexan-1-ol?
2-[[(5-chloro-1,3-thiazol-2-yl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 260.79 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5-chloro-1,3-thiazol-2-yl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 104879210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).