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

C12H11Cl2NS — CID 28710033

IUPAC5-(2-chloroethyl)-4-(4-chlorophenyl)-2-methyl-1,3-thiazole
SMILESCc1nc(-c2ccc(Cl)cc2)c(CCCl)s1
InChIInChI=1S/C12H11Cl2NS/c1-8-15-12(11(16-8)6-7-13)9-2-4-10(14)5-3-9/h2-5H,6-7H2,1H3
InChIKeyZTFZSEHSMONEIY-UHFFFAOYSA-N
MW272.20 g/mol
LogP4.55
Rot. Bonds3

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

5-(2-chloroethyl)-4-(4-chlorophenyl)-2-methyl-1,3-thiazole (PubChem CID 28710033) has the molecular formula C12H11Cl2NS and a molecular weight of 272.20 g/mol. Its IUPAC name is 5-(2-chloroethyl)-4-(4-chlorophenyl)-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-(2-chloroethyl)-4-(4-chlorophenyl)-2-methyl-1,3-thiazole
PubChem CID28710033
Molecular FormulaC12H11Cl2NS
Molecular Weight272.20 g/mol
Exact Mass271.00
IUPAC Name5-(2-chloroethyl)-4-(4-chlorophenyl)-2-methyl-1,3-thiazole
SMILESCc1nc(-c2ccc(Cl)cc2)c(CCCl)s1
InChIInChI=1S/C12H11Cl2NS/c1-8-15-12(11(16-8)6-7-13)9-2-4-10(14)5-3-9/h2-5H,6-7H2,1H3
InChIKeyZTFZSEHSMONEIY-UHFFFAOYSA-N
XLogP4.55
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.20
LogP ≤ 54.55
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-(4-chlorophenyl)-2-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

5-(2-chloroethyl)-4-(2,3-dihydro-1H-inden-5-yl)-2-methyl-1,3-thiazole
CID 93189973
5-(chloromethyl)-4-(4-fluoro-3-methylphenyl)-2-methyl-1,3-thiazole
CID 28710048
2-[4-(4-chlorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-(4-chlorophenyl)sulfonylacetamide
CID 11554000
2-[4-(4-chlorophenyl)-2-ethyl-1,3-thiazol-5-yl]ethanamine
CID 82069519
5-(2-chloroethyl)-4-(2-methoxy-5-methylphenyl)-2-methyl-1,3-thiazole
CID 28710063
2-[4-(4-chlorophenyl)-2-(methylamino)-1,3-thiazol-5-yl]ethanol
CID 14100762
4-(3,4-dimethylphenyl)-2-methyl-5-propyl-1,3-thiazole
CID 5020924
[4-(4-tert-butylphenyl)-2-methyl-1,3-thiazol-5-yl]methanamine
CID 28709653
4-(3-chloro-4-fluorophenyl)-5-fluoro-2-methyl-1,3-thiazole
CID 176575416
N-methyl-1-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanamine
CID 81173465
2-[4-(4-chlorophenyl)-2-methyl-1,3-thiazol-5-yl]-1-[(2S)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone
CID 92564191
2-[4-(4-chlorophenyl)-2-methyl-1,3-thiazol-5-yl]-1-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone
CID 46955328

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloroethyl)-4-(4-chlorophenyl)-2-methyl-1,3-thiazole?
The IUPAC name of 5-(2-chloroethyl)-4-(4-chlorophenyl)-2-methyl-1,3-thiazole (CID 28710033) is 5-(2-chloroethyl)-4-(4-chlorophenyl)-2-methyl-1,3-thiazole.
What is the SMILES notation for 5-(2-chloroethyl)-4-(4-chlorophenyl)-2-methyl-1,3-thiazole?
The canonical SMILES for 5-(2-chloroethyl)-4-(4-chlorophenyl)-2-methyl-1,3-thiazole is Cc1nc(-c2ccc(Cl)cc2)c(CCCl)s1.
What is the InChIKey of 5-(2-chloroethyl)-4-(4-chlorophenyl)-2-methyl-1,3-thiazole?
The InChIKey is ZTFZSEHSMONEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NS/c1-8-15-12(11(16-8)6-7-13)9-2-4-10(14)5-3-9/h2-5H,6-7H2,1H3.
What are the key properties of 5-(2-chloroethyl)-4-(4-chlorophenyl)-2-methyl-1,3-thiazole?
5-(2-chloroethyl)-4-(4-chlorophenyl)-2-methyl-1,3-thiazole has a molecular weight of 272.20 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroethyl)-4-(4-chlorophenyl)-2-methyl-1,3-thiazole is sourced from PubChem (CID 28710033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).