4-(chloromethyl)-2-cyclohexyl-1,3-thiazole

C10H14ClNS — CID 39870396

IUPAC4-(chloromethyl)-2-cyclohexyl-1,3-thiazole
SMILESClCc1csc(C2CCCCC2)n1
InChIInChI=1S/C10H14ClNS/c11-6-9-7-13-10(12-9)8-4-2-1-3-5-8/h7-8H,1-6H2
InChIKeyVXYXEBAKSNNLPL-UHFFFAOYSA-N
MW215.75 g/mol
LogP3.93
Rot. Bonds2

About 4-(chloromethyl)-2-cyclohexyl-1,3-thiazole

4-(chloromethyl)-2-cyclohexyl-1,3-thiazole (PubChem CID 39870396) has the molecular formula C10H14ClNS and a molecular weight of 215.75 g/mol. Its IUPAC name is 4-(chloromethyl)-2-cyclohexyl-1,3-thiazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-cyclohexyl-1,3-thiazole
PubChem CID39870396
Molecular FormulaC10H14ClNS
Molecular Weight215.75 g/mol
Exact Mass215.05
IUPAC Name4-(chloromethyl)-2-cyclohexyl-1,3-thiazole
SMILESClCc1csc(C2CCCCC2)n1
InChIInChI=1S/C10H14ClNS/c11-6-9-7-13-10(12-9)8-4-2-1-3-5-8/h7-8H,1-6H2
InChIKeyVXYXEBAKSNNLPL-UHFFFAOYSA-N
XLogP3.93
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 ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-cyclohexyl-1,3-thiazole?
The IUPAC name of 4-(chloromethyl)-2-cyclohexyl-1,3-thiazole (CID 39870396) is 4-(chloromethyl)-2-cyclohexyl-1,3-thiazole.
What is the SMILES notation for 4-(chloromethyl)-2-cyclohexyl-1,3-thiazole?
The canonical SMILES for 4-(chloromethyl)-2-cyclohexyl-1,3-thiazole is ClCc1csc(C2CCCCC2)n1.
What is the InChIKey of 4-(chloromethyl)-2-cyclohexyl-1,3-thiazole?
The InChIKey is VXYXEBAKSNNLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNS/c11-6-9-7-13-10(12-9)8-4-2-1-3-5-8/h7-8H,1-6H2.
What are the key properties of 4-(chloromethyl)-2-cyclohexyl-1,3-thiazole?
4-(chloromethyl)-2-cyclohexyl-1,3-thiazole has a molecular weight of 215.75 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-cyclohexyl-1,3-thiazole is sourced from PubChem (CID 39870396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).