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

C9H12ClNOS — CID 79764492

IUPAC2-chloro-5-(cyclopentyloxymethyl)-1,3-thiazole
SMILESClc1ncc(COC2CCCC2)s1
InChIInChI=1S/C9H12ClNOS/c10-9-11-5-8(13-9)6-12-7-3-1-2-4-7/h5,7H,1-4,6H2
InChIKeyJFCIGPJFTKSWNH-UHFFFAOYSA-N
MW217.72 g/mol
LogP3.26
Rot. Bonds3

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

2-chloro-5-(cyclopentyloxymethyl)-1,3-thiazole (PubChem CID 79764492) has the molecular formula C9H12ClNOS and a molecular weight of 217.72 g/mol. Its IUPAC name is 2-chloro-5-(cyclopentyloxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-(cyclopentyloxymethyl)-1,3-thiazole
PubChem CID79764492
Molecular FormulaC9H12ClNOS
Molecular Weight217.72 g/mol
Exact Mass217.03
IUPAC Name2-chloro-5-(cyclopentyloxymethyl)-1,3-thiazole
SMILESClc1ncc(COC2CCCC2)s1
InChIInChI=1S/C9H12ClNOS/c10-9-11-5-8(13-9)6-12-7-3-1-2-4-7/h5,7H,1-4,6H2
InChIKeyJFCIGPJFTKSWNH-UHFFFAOYSA-N
XLogP3.26
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.72
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(cyclopentyloxymethyl)-1,3-thiazole?
The IUPAC name of 2-chloro-5-(cyclopentyloxymethyl)-1,3-thiazole (CID 79764492) is 2-chloro-5-(cyclopentyloxymethyl)-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-(cyclopentyloxymethyl)-1,3-thiazole?
The canonical SMILES for 2-chloro-5-(cyclopentyloxymethyl)-1,3-thiazole is Clc1ncc(COC2CCCC2)s1.
What is the InChIKey of 2-chloro-5-(cyclopentyloxymethyl)-1,3-thiazole?
The InChIKey is JFCIGPJFTKSWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNOS/c10-9-11-5-8(13-9)6-12-7-3-1-2-4-7/h5,7H,1-4,6H2.
What are the key properties of 2-chloro-5-(cyclopentyloxymethyl)-1,3-thiazole?
2-chloro-5-(cyclopentyloxymethyl)-1,3-thiazole has a molecular weight of 217.72 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(cyclopentyloxymethyl)-1,3-thiazole is sourced from PubChem (CID 79764492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).