5-(2-chloroethyl)-4-methyl-1,3-thiazole

C6H8ClNS — CID 10783

💊View drug profile → clomethiazole
IUPAC5-(2-chloroethyl)-4-methyl-1,3-thiazole
SMILESCc1ncsc1CCCl
InChIInChI=1S/C6H8ClNS/c1-5-6(2-3-7)9-4-8-5/h4H,2-3H2,1H3
InChIKeyPCLITLDOTJTVDJ-UHFFFAOYSA-N
MW161.66 g/mol
LogP2.23
Rot. Bonds2

About 5-(2-chloroethyl)-4-methyl-1,3-thiazole

5-(2-chloroethyl)-4-methyl-1,3-thiazole (PubChem CID 10783) has the molecular formula C6H8ClNS and a molecular weight of 161.66 g/mol. Its IUPAC name is 5-(2-chloroethyl)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-(2-chloroethyl)-4-methyl-1,3-thiazole
PubChem CID10783
Molecular FormulaC6H8ClNS
Molecular Weight161.66 g/mol
Exact Mass161.01
IUPAC Name5-(2-chloroethyl)-4-methyl-1,3-thiazole
SMILESCc1ncsc1CCCl
InChIInChI=1S/C6H8ClNS/c1-5-6(2-3-7)9-4-8-5/h4H,2-3H2,1H3
InChIKeyPCLITLDOTJTVDJ-UHFFFAOYSA-N
XLogP2.23
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.66
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(2-chloroethyl)-4-methyl-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

4-Ethyl-5-methylthiazole
CID 521384
4-Ethyl-5-propylthiazole
CID 93597
5-Ethyl-4-methylthiazole
CID 40380
Clomethiazole hydrochloride
CID 19035073
5-Ethyl-3,4-dimethyl-1,3-thiazol-3-ium iodide
CID 71400698
5-(2-Azidoethyl)-4-methyl-1,3-thiazole
CID 54670922
Thiazole, 5-(2-aminoethyl)-4-methyl-, hydrochloride
CID 205403
Thiazole, 2-chloro-5-(2-chloroethyl)-4-methyl-
CID 207964
Cloprothiazole
CID 71667
5-(2-Bromoethyl)-4-methyl-1,3-thiazole
CID 204187
5-(2-Fluoroethyl)-4-methylthiazole
CID 20323417
Thiazole, 5-(2-chloromethyl)-4-methyl-2-(methylthio)-, hydrochloride
CID 3057929

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloroethyl)-4-methyl-1,3-thiazole?
The IUPAC name of 5-(2-chloroethyl)-4-methyl-1,3-thiazole (CID 10783) is 5-(2-chloroethyl)-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-(2-chloroethyl)-4-methyl-1,3-thiazole?
The canonical SMILES for 5-(2-chloroethyl)-4-methyl-1,3-thiazole is Cc1ncsc1CCCl.
What is the InChIKey of 5-(2-chloroethyl)-4-methyl-1,3-thiazole?
The InChIKey is PCLITLDOTJTVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClNS/c1-5-6(2-3-7)9-4-8-5/h4H,2-3H2,1H3.
What are the key properties of 5-(2-chloroethyl)-4-methyl-1,3-thiazole?
5-(2-chloroethyl)-4-methyl-1,3-thiazole has a molecular weight of 161.66 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroethyl)-4-methyl-1,3-thiazole is sourced from PubChem (CID 10783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).