4-chloro-2-(cyclopentylmethoxy)-1,3-thiazole

C9H12ClNOS — CID 83153468

IUPAC4-chloro-2-(cyclopentylmethoxy)-1,3-thiazole
SMILESClc1csc(OCC2CCCC2)n1
InChIInChI=1S/C9H12ClNOS/c10-8-6-13-9(11-8)12-5-7-3-1-2-4-7/h6-7H,1-5H2
InChIKeyCJITYHMRQZKJOV-UHFFFAOYSA-N
MW217.72 g/mol
LogP3.37
Rot. Bonds3

About 4-chloro-2-(cyclopentylmethoxy)-1,3-thiazole

4-chloro-2-(cyclopentylmethoxy)-1,3-thiazole (PubChem CID 83153468) has the molecular formula C9H12ClNOS and a molecular weight of 217.72 g/mol. Its IUPAC name is 4-chloro-2-(cyclopentylmethoxy)-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-2-(cyclopentylmethoxy)-1,3-thiazole
PubChem CID83153468
Molecular FormulaC9H12ClNOS
Molecular Weight217.72 g/mol
Exact Mass217.03
IUPAC Name4-chloro-2-(cyclopentylmethoxy)-1,3-thiazole
SMILESClc1csc(OCC2CCCC2)n1
InChIInChI=1S/C9H12ClNOS/c10-8-6-13-9(11-8)12-5-7-3-1-2-4-7/h6-7H,1-5H2
InChIKeyCJITYHMRQZKJOV-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(cyclopentylmethoxy)-1,3-thiazole?
The IUPAC name of 4-chloro-2-(cyclopentylmethoxy)-1,3-thiazole (CID 83153468) is 4-chloro-2-(cyclopentylmethoxy)-1,3-thiazole.
What is the SMILES notation for 4-chloro-2-(cyclopentylmethoxy)-1,3-thiazole?
The canonical SMILES for 4-chloro-2-(cyclopentylmethoxy)-1,3-thiazole is Clc1csc(OCC2CCCC2)n1.
What is the InChIKey of 4-chloro-2-(cyclopentylmethoxy)-1,3-thiazole?
The InChIKey is CJITYHMRQZKJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNOS/c10-8-6-13-9(11-8)12-5-7-3-1-2-4-7/h6-7H,1-5H2.
What are the key properties of 4-chloro-2-(cyclopentylmethoxy)-1,3-thiazole?
4-chloro-2-(cyclopentylmethoxy)-1,3-thiazole has a molecular weight of 217.72 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(cyclopentylmethoxy)-1,3-thiazole is sourced from PubChem (CID 83153468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).