5-(2-chloroethyl)-2-methoxy-1,3-thiazole

C6H8ClNOS — CID 130590548

IUPAC5-(2-chloroethyl)-2-methoxy-1,3-thiazole
SMILESCOc1ncc(CCCl)s1
InChIInChI=1S/C6H8ClNOS/c1-9-6-8-4-5(10-6)2-3-7/h4H,2-3H2,1H3
InChIKeyQEQKAMLCZICOES-UHFFFAOYSA-N
MW177.66 g/mol
LogP1.93
Rot. Bonds3

About 5-(2-chloroethyl)-2-methoxy-1,3-thiazole

5-(2-chloroethyl)-2-methoxy-1,3-thiazole (PubChem CID 130590548) has the molecular formula C6H8ClNOS and a molecular weight of 177.66 g/mol. Its IUPAC name is 5-(2-chloroethyl)-2-methoxy-1,3-thiazole.

Molecular Properties

Compound Name5-(2-chloroethyl)-2-methoxy-1,3-thiazole
PubChem CID130590548
Molecular FormulaC6H8ClNOS
Molecular Weight177.66 g/mol
Exact Mass177.00
IUPAC Name5-(2-chloroethyl)-2-methoxy-1,3-thiazole
SMILESCOc1ncc(CCCl)s1
InChIInChI=1S/C6H8ClNOS/c1-9-6-8-4-5(10-6)2-3-7/h4H,2-3H2,1H3
InChIKeyQEQKAMLCZICOES-UHFFFAOYSA-N
XLogP1.93
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.66
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(2-chloroethyl)-2-methoxy-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methoxy-1,3-thiazol-5-yl)ethanol
CID 83674256
5-(3-bromopropyl)-2-methoxy-1,3-thiazole
CID 130593249
N-[(2-methoxy-1,3-thiazol-5-yl)methyl]-N-methylhydroxylamine
CID 82598709
5-(cyclopent-3-en-1-ylmethyl)-2-methoxy-1,3-thiazole
CID 164652619
2-methoxy-5-methyl-1,3-thiazole
CID 12743061
2-methoxy-1,3-thiazol-5-ol
CID 130658802
2-bromo-5-(2-methoxyethyl)-1,3-thiazole
CID 117259730
2-chloro-5-propyl-1,3-thiazole
CID 56625607
2-bromo-5-(3-methoxypropyl)-1,3-thiazole
CID 134456698
2-methoxy-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-thiazole
CID 130593173
5-(5-bromo-4-chloropyrimidin-2-yl)-2-methoxy-1,3-thiazole
CID 130590473
3-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]propan-1-amine
CID 115091894

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloroethyl)-2-methoxy-1,3-thiazole?
The IUPAC name of 5-(2-chloroethyl)-2-methoxy-1,3-thiazole (CID 130590548) is 5-(2-chloroethyl)-2-methoxy-1,3-thiazole.
What is the SMILES notation for 5-(2-chloroethyl)-2-methoxy-1,3-thiazole?
The canonical SMILES for 5-(2-chloroethyl)-2-methoxy-1,3-thiazole is COc1ncc(CCCl)s1.
What is the InChIKey of 5-(2-chloroethyl)-2-methoxy-1,3-thiazole?
The InChIKey is QEQKAMLCZICOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClNOS/c1-9-6-8-4-5(10-6)2-3-7/h4H,2-3H2,1H3.
What are the key properties of 5-(2-chloroethyl)-2-methoxy-1,3-thiazole?
5-(2-chloroethyl)-2-methoxy-1,3-thiazole has a molecular weight of 177.66 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroethyl)-2-methoxy-1,3-thiazole is sourced from PubChem (CID 130590548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).