3-(3-chloro-4-methylphenyl)-2-(4-methylphenyl)-1,3-thiazolidin-4-one

C17H16ClNOS — CID 5057472

IUPAC3-(3-chloro-4-methylphenyl)-2-(4-methylphenyl)-1,3-thiazolidin-4-one
SMILESCc1ccc(C2SCC(=O)N2c2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C17H16ClNOS/c1-11-3-6-13(7-4-11)17-19(16(20)10-21-17)14-8-5-12(2)15(18)9-14/h3-9,17H,10H2,1-2H3
InChIKeyVZQYFCGRPZEEEQ-UHFFFAOYSA-N
MW317.84 g/mol
LogP4.74
Rot. Bonds2

About 3-(3-chloro-4-methylphenyl)-2-(4-methylphenyl)-1,3-thiazolidin-4-one

3-(3-chloro-4-methylphenyl)-2-(4-methylphenyl)-1,3-thiazolidin-4-one (PubChem CID 5057472) has the molecular formula C17H16ClNOS and a molecular weight of 317.84 g/mol. Its IUPAC name is 3-(3-chloro-4-methylphenyl)-2-(4-methylphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(3-chloro-4-methylphenyl)-2-(4-methylphenyl)-1,3-thiazolidin-4-one
PubChem CID5057472
Molecular FormulaC17H16ClNOS
Molecular Weight317.84 g/mol
Exact Mass317.06
IUPAC Name3-(3-chloro-4-methylphenyl)-2-(4-methylphenyl)-1,3-thiazolidin-4-one
SMILESCc1ccc(C2SCC(=O)N2c2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C17H16ClNOS/c1-11-3-6-13(7-4-11)17-19(16(20)10-21-17)14-8-5-12(2)15(18)9-14/h3-9,17H,10H2,1-2H3
InChIKeyVZQYFCGRPZEEEQ-UHFFFAOYSA-N
XLogP4.74
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-Methylphenyl)-3-phenyl-1,3-thiazolidin-4-one
CID 3107224
4-Thiazolidinone, 2-(2,6-dichlorophenyl)-3-phenyl-
CID 486674
2-[(2-chlorobenzyl)sulfonyl]-N-methyl-N-phenylacetamide
CID 1488335
N-(3-Chloro-4-methyl-phenyl)-2-[(3-phenyl-propylcarbamoyl)-methanesulfinyl]-acetamide
CID 3226830
2-{[(2-Chlorophenyl)methyl]sulfanyl}-1-[4-(4-fluorophenyl)piperazin-1-YL]ethan-1-one
CID 3567687
2-{[(2-Chlorophenyl)methyl]sulfanyl}-1-[4-(4-chlorophenyl)piperazin-1-YL]ethan-1-one
CID 4119948
2-(2-Chloro-6-fluorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one
CID 4247898
2-(2-Chloro-6-fluorophenyl)-3-(3-fluorophenyl)-1,3-thiazolidin-4-one
CID 4247900
N-[4-[2-(2-chloro-6-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide
CID 4351781
(2E)-3-(2-chlorophenyl)-N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)prop-2-enamide
CID 5786418
2-(4-Chlorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one
CID 2850286
3-(4-Chlorophenyl)-2-(2,4-dichlorophenyl)-1,3-thiazolidin-4-one
CID 3107629

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methylphenyl)-2-(4-methylphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(3-chloro-4-methylphenyl)-2-(4-methylphenyl)-1,3-thiazolidin-4-one (CID 5057472) is 3-(3-chloro-4-methylphenyl)-2-(4-methylphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(3-chloro-4-methylphenyl)-2-(4-methylphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(3-chloro-4-methylphenyl)-2-(4-methylphenyl)-1,3-thiazolidin-4-one is Cc1ccc(C2SCC(=O)N2c2ccc(C)c(Cl)c2)cc1.
What is the InChIKey of 3-(3-chloro-4-methylphenyl)-2-(4-methylphenyl)-1,3-thiazolidin-4-one?
The InChIKey is VZQYFCGRPZEEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNOS/c1-11-3-6-13(7-4-11)17-19(16(20)10-21-17)14-8-5-12(2)15(18)9-14/h3-9,17H,10H2,1-2H3.
What are the key properties of 3-(3-chloro-4-methylphenyl)-2-(4-methylphenyl)-1,3-thiazolidin-4-one?
3-(3-chloro-4-methylphenyl)-2-(4-methylphenyl)-1,3-thiazolidin-4-one has a molecular weight of 317.84 g/mol, XLogP of 4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methylphenyl)-2-(4-methylphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 5057472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).