2-(2-chlorophenyl)-4-[4-(4-methylphenyl)phenyl]-4,5-dihydro-1,3-thiazole

C22H18ClNS — CID 20668729

IUPAC2-(2-chlorophenyl)-4-[4-(4-methylphenyl)phenyl]-4,5-dihydro-1,3-thiazole
SMILESCc1ccc(-c2ccc(C3CSC(c4ccccc4Cl)=N3)cc2)cc1
InChIInChI=1S/C22H18ClNS/c1-15-6-8-16(9-7-15)17-10-12-18(13-11-17)21-14-25-22(24-21)19-4-2-3-5-20(19)23/h2-13,21H,14H2,1H3
InChIKeyNGGUKANPKYYZAQ-UHFFFAOYSA-N
MW363.91 g/mol
LogP6.55
Rot. Bonds3

About 2-(2-chlorophenyl)-4-[4-(4-methylphenyl)phenyl]-4,5-dihydro-1,3-thiazole

2-(2-chlorophenyl)-4-[4-(4-methylphenyl)phenyl]-4,5-dihydro-1,3-thiazole (PubChem CID 20668729) has the molecular formula C22H18ClNS and a molecular weight of 363.91 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-[4-(4-methylphenyl)phenyl]-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-[4-(4-methylphenyl)phenyl]-4,5-dihydro-1,3-thiazole
PubChem CID20668729
Molecular FormulaC22H18ClNS
Molecular Weight363.91 g/mol
Exact Mass363.08
IUPAC Name2-(2-chlorophenyl)-4-[4-(4-methylphenyl)phenyl]-4,5-dihydro-1,3-thiazole
SMILESCc1ccc(-c2ccc(C3CSC(c4ccccc4Cl)=N3)cc2)cc1
InChIInChI=1S/C22H18ClNS/c1-15-6-8-16(9-7-15)17-10-12-18(13-11-17)21-14-25-22(24-21)19-4-2-3-5-20(19)23/h2-13,21H,14H2,1H3
InChIKeyNGGUKANPKYYZAQ-UHFFFAOYSA-N
XLogP6.55
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.91
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2-chlorophenyl)-4-[4-(4-methylphenyl)phenyl]-4,5-dihydro-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-(4-Tert-butylphenyl)-2-(2-chloro-6-fluorophenyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[e][1,3]thiazine
CID 15346458
2-(2,6-Difluorophenyl)-4-[4-(4-methylphenyl)phenyl]-4,5-dihydro-1,3-thiazole
CID 20668727
2-(2-Fluorophenyl)-4-[4-(4-methylphenyl)phenyl]-4,5-dihydro-1,3-thiazole
CID 20668730
2-(2-Chlorophenyl)-4-(2-fluorophenyl)-4,5-dihydrothiazole
CID 22716548
5-(2-chlorophenyl)-3-methyl-2-[4-[4-(trifluoromethylsulfanyl)phenyl]phenyl]-3,4-dihydro-2H-pyrrole
CID 23596503
5-(2-chlorophenyl)-2-[4-[4-(trifluoromethylsulfanyl)phenyl]phenyl]-3,4-dihydro-2H-pyrrole
CID 58915254
(2R)-5-(2-chloro-6-fluorophenyl)-2-[4-(4-methylphenyl)phenyl]-3,4-dihydro-2H-pyrrole
CID 59787807
4-(4-Tert-butylphenyl)-2-(2-chloro-6-fluorophenyl)-4,5,6,7-tetrahydrocyclopenta[e][1,3]thiazine
CID 67621248
2-(2-Chloro-6-fluorophenyl)-4-(4-methylphenyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[e][1,3]thiazine
CID 141858284
5-(2-chlorophenyl)-2-[4-[(1E,3E)-4-(trifluoromethylsulfanyl)hexa-1,3,5-trienyl]phenyl]-3,4-dihydro-2H-pyrrole;ethane
CID 142128901
(5Z)-5-benzylidene-4-(4-methylphenyl)-2-phenyl-4H-1,3-thiazole
CID 11175245
(5S,6S)-5,6-dimethyl-2-(4-methylphenyl)-4-phenyl-5,6-dihydro-4H-1,3-thiazine
CID 134918459

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-[4-(4-methylphenyl)phenyl]-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-(2-chlorophenyl)-4-[4-(4-methylphenyl)phenyl]-4,5-dihydro-1,3-thiazole (CID 20668729) is 2-(2-chlorophenyl)-4-[4-(4-methylphenyl)phenyl]-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-(2-chlorophenyl)-4-[4-(4-methylphenyl)phenyl]-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-(2-chlorophenyl)-4-[4-(4-methylphenyl)phenyl]-4,5-dihydro-1,3-thiazole is Cc1ccc(-c2ccc(C3CSC(c4ccccc4Cl)=N3)cc2)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-4-[4-(4-methylphenyl)phenyl]-4,5-dihydro-1,3-thiazole?
The InChIKey is NGGUKANPKYYZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClNS/c1-15-6-8-16(9-7-15)17-10-12-18(13-11-17)21-14-25-22(24-21)19-4-2-3-5-20(19)23/h2-13,21H,14H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-4-[4-(4-methylphenyl)phenyl]-4,5-dihydro-1,3-thiazole?
2-(2-chlorophenyl)-4-[4-(4-methylphenyl)phenyl]-4,5-dihydro-1,3-thiazole has a molecular weight of 363.91 g/mol, XLogP of 6.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-[4-(4-methylphenyl)phenyl]-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 20668729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).