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

C13H14ClNS — CID 82087844

IUPAC4-(2-chloroethyl)-2-(4-ethylphenyl)-1,3-thiazole
SMILESCCc1ccc(-c2nc(CCCl)cs2)cc1
InChIInChI=1S/C13H14ClNS/c1-2-10-3-5-11(6-4-10)13-15-12(7-8-14)9-16-13/h3-6,9H,2,7-8H2,1H3
InChIKeyMGKIMVFBYGKMAN-UHFFFAOYSA-N
MW251.78 g/mol
LogP4.15
Rot. Bonds4

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

4-(2-chloroethyl)-2-(4-ethylphenyl)-1,3-thiazole (PubChem CID 82087844) has the molecular formula C13H14ClNS and a molecular weight of 251.78 g/mol. Its IUPAC name is 4-(2-chloroethyl)-2-(4-ethylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(2-chloroethyl)-2-(4-ethylphenyl)-1,3-thiazole
PubChem CID82087844
Molecular FormulaC13H14ClNS
Molecular Weight251.78 g/mol
Exact Mass251.05
IUPAC Name4-(2-chloroethyl)-2-(4-ethylphenyl)-1,3-thiazole
SMILESCCc1ccc(-c2nc(CCCl)cs2)cc1
InChIInChI=1S/C13H14ClNS/c1-2-10-3-5-11(6-4-10)13-15-12(7-8-14)9-16-13/h3-6,9H,2,7-8H2,1H3
InChIKeyMGKIMVFBYGKMAN-UHFFFAOYSA-N
XLogP4.15
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.78
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(2-chloroethyl)-2-(4-ethylphenyl)-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-(2-chloroethyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole
CID 82091885
2-(4-ethylphenyl)-4-(ethylsulfanylmethyl)-1,3-thiazole
CID 145363293
2-(4-methylphenyl)-4-propyl-1,3-thiazole
CID 115641441
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride
CID 18593828
2-(4-fluorophenyl)-4-propyl-1,3-thiazole
CID 115641443
2-(3-bromo-4-methoxyphenyl)-4-(2-chloroethyl)-1,3-thiazole
CID 116888995
4-ethyl-2-phenyl-1,3-thiazole
CID 5324799
4-(2-chloroethyl)-2-(3-methoxyphenyl)-1,3-thiazole
CID 82088342
[4-(4-hexyl-1,3-thiazol-2-yl)phenyl]methanamine
CID 102625963
ethane;4-ethyl-2-phenyl-1,3-thiazole
CID 91427044
4-ethyl-2-phenyl-1,3-thiazole;dihydrochloride
CID 118514483
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanamine
CID 3799257

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroethyl)-2-(4-ethylphenyl)-1,3-thiazole?
The IUPAC name of 4-(2-chloroethyl)-2-(4-ethylphenyl)-1,3-thiazole (CID 82087844) is 4-(2-chloroethyl)-2-(4-ethylphenyl)-1,3-thiazole.
What is the SMILES notation for 4-(2-chloroethyl)-2-(4-ethylphenyl)-1,3-thiazole?
The canonical SMILES for 4-(2-chloroethyl)-2-(4-ethylphenyl)-1,3-thiazole is CCc1ccc(-c2nc(CCCl)cs2)cc1.
What is the InChIKey of 4-(2-chloroethyl)-2-(4-ethylphenyl)-1,3-thiazole?
The InChIKey is MGKIMVFBYGKMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNS/c1-2-10-3-5-11(6-4-10)13-15-12(7-8-14)9-16-13/h3-6,9H,2,7-8H2,1H3.
What are the key properties of 4-(2-chloroethyl)-2-(4-ethylphenyl)-1,3-thiazole?
4-(2-chloroethyl)-2-(4-ethylphenyl)-1,3-thiazole has a molecular weight of 251.78 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroethyl)-2-(4-ethylphenyl)-1,3-thiazole is sourced from PubChem (CID 82087844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).