4-(2-chloroethyl)-1,3-thiazole

C5H6ClNS — CID 20550179

IUPAC4-(2-chloroethyl)-1,3-thiazole
SMILESClCCc1cscn1
InChIInChI=1S/C5H6ClNS/c6-2-1-5-3-8-4-7-5/h3-4H,1-2H2
InChIKeySJKXFYXCQCXHIH-UHFFFAOYSA-N
MW147.63 g/mol
LogP1.92
Rot. Bonds2

About 4-(2-chloroethyl)-1,3-thiazole

4-(2-chloroethyl)-1,3-thiazole (PubChem CID 20550179) has the molecular formula C5H6ClNS and a molecular weight of 147.63 g/mol. Its IUPAC name is 4-(2-chloroethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(2-chloroethyl)-1,3-thiazole
PubChem CID20550179
Molecular FormulaC5H6ClNS
Molecular Weight147.63 g/mol
Exact Mass146.99
IUPAC Name4-(2-chloroethyl)-1,3-thiazole
SMILESClCCc1cscn1
InChIInChI=1S/C5H6ClNS/c6-2-1-5-3-8-4-7-5/h3-4H,1-2H2
InChIKeySJKXFYXCQCXHIH-UHFFFAOYSA-N
XLogP1.92
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.63
LogP ≤ 51.92
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-(2-chloroethyl)-1,3-thiazole?
The IUPAC name of 4-(2-chloroethyl)-1,3-thiazole (CID 20550179) is 4-(2-chloroethyl)-1,3-thiazole.
What is the SMILES notation for 4-(2-chloroethyl)-1,3-thiazole?
The canonical SMILES for 4-(2-chloroethyl)-1,3-thiazole is ClCCc1cscn1.
What is the InChIKey of 4-(2-chloroethyl)-1,3-thiazole?
The InChIKey is SJKXFYXCQCXHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClNS/c6-2-1-5-3-8-4-7-5/h3-4H,1-2H2.
What are the key properties of 4-(2-chloroethyl)-1,3-thiazole?
4-(2-chloroethyl)-1,3-thiazole has a molecular weight of 147.63 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroethyl)-1,3-thiazole is sourced from PubChem (CID 20550179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).