2-[(2-chlorocyclohexyl)methyl]-1,3-thiazole

C10H14ClNS — CID 79824963

IUPAC2-[(2-chlorocyclohexyl)methyl]-1,3-thiazole
SMILESClC1CCCCC1Cc1nccs1
InChIInChI=1S/C10H14ClNS/c11-9-4-2-1-3-8(9)7-10-12-5-6-13-10/h5-6,8-9H,1-4,7H2
InChIKeyHGCJOJZPUBHNGN-UHFFFAOYSA-N
MW215.75 g/mol
LogP3.48
Rot. Bonds2

About 2-[(2-chlorocyclohexyl)methyl]-1,3-thiazole

2-[(2-chlorocyclohexyl)methyl]-1,3-thiazole (PubChem CID 79824963) has the molecular formula C10H14ClNS and a molecular weight of 215.75 g/mol. Its IUPAC name is 2-[(2-chlorocyclohexyl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(2-chlorocyclohexyl)methyl]-1,3-thiazole
PubChem CID79824963
Molecular FormulaC10H14ClNS
Molecular Weight215.75 g/mol
Exact Mass215.05
IUPAC Name2-[(2-chlorocyclohexyl)methyl]-1,3-thiazole
SMILESClC1CCCCC1Cc1nccs1
InChIInChI=1S/C10H14ClNS/c11-9-4-2-1-3-8(9)7-10-12-5-6-13-10/h5-6,8-9H,1-4,7H2
InChIKeyHGCJOJZPUBHNGN-UHFFFAOYSA-N
XLogP3.48
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.75
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-[(2-chlorocyclohexyl)methyl]-1,3-thiazole 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

N-methyl-2-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine
CID 79824079
N-[[2-(1,3-thiazol-2-ylmethyl)cycloheptyl]methyl]ethanamine
CID 81026356
4-tert-butyl-2-[(2-chlorocyclohexyl)methyl]-1,3-thiazole
CID 79816559
2-[(2-chlorocycloheptyl)methyl]-4-phenyl-1,3-thiazole
CID 79816966
2-[(3-ethylpiperidin-4-yl)methyl]-1,3-thiazole
CID 114510643
2-[(3-bromo-2-methylcyclopentyl)methyl]-1,3-thiazole
CID 79824864
4-(1,3-thiazol-2-ylmethyl)thiolan-3-amine
CID 83196384
4-methyl-3-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine
CID 165491533
N,2-dimethyl-3-(1,3-thiazol-2-ylmethyl)cyclopentan-1-amine
CID 79823752
N-[(2-chlorocyclohexyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 65029513
[2-(1,3-thiazol-2-ylamino)cyclohexyl]methanol
CID 106362297
1-(2-aminocyclohexyl)-2-(1,3-thiazol-2-yl)ethanone
CID 116579837

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorocyclohexyl)methyl]-1,3-thiazole?
The IUPAC name of 2-[(2-chlorocyclohexyl)methyl]-1,3-thiazole (CID 79824963) is 2-[(2-chlorocyclohexyl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-[(2-chlorocyclohexyl)methyl]-1,3-thiazole?
The canonical SMILES for 2-[(2-chlorocyclohexyl)methyl]-1,3-thiazole is ClC1CCCCC1Cc1nccs1.
What is the InChIKey of 2-[(2-chlorocyclohexyl)methyl]-1,3-thiazole?
The InChIKey is HGCJOJZPUBHNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNS/c11-9-4-2-1-3-8(9)7-10-12-5-6-13-10/h5-6,8-9H,1-4,7H2.
What are the key properties of 2-[(2-chlorocyclohexyl)methyl]-1,3-thiazole?
2-[(2-chlorocyclohexyl)methyl]-1,3-thiazole has a molecular weight of 215.75 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorocyclohexyl)methyl]-1,3-thiazole is sourced from PubChem (CID 79824963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).