2-chloro-5-(cyclohexyloxymethyl)-1,3-thiazole

C10H14ClNOS — CID 79764491

IUPAC2-chloro-5-(cyclohexyloxymethyl)-1,3-thiazole
SMILESClc1ncc(COC2CCCCC2)s1
InChIInChI=1S/C10H14ClNOS/c11-10-12-6-9(14-10)7-13-8-4-2-1-3-5-8/h6,8H,1-5,7H2
InChIKeyQOZSUNYAJWXSRB-UHFFFAOYSA-N
MW231.75 g/mol
LogP3.65
Rot. Bonds3

About 2-chloro-5-(cyclohexyloxymethyl)-1,3-thiazole

2-chloro-5-(cyclohexyloxymethyl)-1,3-thiazole (PubChem CID 79764491) has the molecular formula C10H14ClNOS and a molecular weight of 231.75 g/mol. Its IUPAC name is 2-chloro-5-(cyclohexyloxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-(cyclohexyloxymethyl)-1,3-thiazole
PubChem CID79764491
Molecular FormulaC10H14ClNOS
Molecular Weight231.75 g/mol
Exact Mass231.05
IUPAC Name2-chloro-5-(cyclohexyloxymethyl)-1,3-thiazole
SMILESClc1ncc(COC2CCCCC2)s1
InChIInChI=1S/C10H14ClNOS/c11-10-12-6-9(14-10)7-13-8-4-2-1-3-5-8/h6,8H,1-5,7H2
InChIKeyQOZSUNYAJWXSRB-UHFFFAOYSA-N
XLogP3.65
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.75
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(cyclohexyloxymethyl)-1,3-thiazole?
The IUPAC name of 2-chloro-5-(cyclohexyloxymethyl)-1,3-thiazole (CID 79764491) is 2-chloro-5-(cyclohexyloxymethyl)-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-(cyclohexyloxymethyl)-1,3-thiazole?
The canonical SMILES for 2-chloro-5-(cyclohexyloxymethyl)-1,3-thiazole is Clc1ncc(COC2CCCCC2)s1.
What is the InChIKey of 2-chloro-5-(cyclohexyloxymethyl)-1,3-thiazole?
The InChIKey is QOZSUNYAJWXSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNOS/c11-10-12-6-9(14-10)7-13-8-4-2-1-3-5-8/h6,8H,1-5,7H2.
What are the key properties of 2-chloro-5-(cyclohexyloxymethyl)-1,3-thiazole?
2-chloro-5-(cyclohexyloxymethyl)-1,3-thiazole has a molecular weight of 231.75 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(cyclohexyloxymethyl)-1,3-thiazole is sourced from PubChem (CID 79764491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).