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

C16H13Cl2NOS — CID 145366980

IUPAC3-(3,4-dichlorophenyl)-2-(3-methylphenyl)-1,3-thiazolidin-4-one
SMILESCc1cccc(C2SCC(=O)N2c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C16H13Cl2NOS/c1-10-3-2-4-11(7-10)16-19(15(20)9-21-16)12-5-6-13(17)14(18)8-12/h2-8,16H,9H2,1H3
InChIKeyKXBVGNRTDJTCND-UHFFFAOYSA-N
MW338.26 g/mol
LogP5.08
Rot. Bonds2

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

3-(3,4-dichlorophenyl)-2-(3-methylphenyl)-1,3-thiazolidin-4-one (PubChem CID 145366980) has the molecular formula C16H13Cl2NOS and a molecular weight of 338.26 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-2-(3-methylphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-2-(3-methylphenyl)-1,3-thiazolidin-4-one
PubChem CID145366980
Molecular FormulaC16H13Cl2NOS
Molecular Weight338.26 g/mol
Exact Mass337.01
IUPAC Name3-(3,4-dichlorophenyl)-2-(3-methylphenyl)-1,3-thiazolidin-4-one
SMILESCc1cccc(C2SCC(=O)N2c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C16H13Cl2NOS/c1-10-3-2-4-11(7-10)16-19(15(20)9-21-16)12-5-6-13(17)14(18)8-12/h2-8,16H,9H2,1H3
InChIKeyKXBVGNRTDJTCND-UHFFFAOYSA-N
XLogP5.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.26
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(4-chlorophenoxy)phenyl]-2-(3-methylphenyl)-1,3-thiazolidin-4-one
CID 25073003
2-(3-bromophenyl)-3-(3-chloro-4-methylphenyl)-1,3-thiazolidin-4-one
CID 3288399
3-(3,4-dichlorophenyl)-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one
CID 4194179
(2S)-3-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 1274540
3-(3-chloro-4-methylphenyl)-2-(4-methylphenyl)-1,3-thiazolidin-4-one
CID 5057472
2-(3-chlorophenyl)-3-(3,5-dimethylphenyl)-1,3-thiazolidin-4-one
CID 11842557
3-(3-methylphenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one
CID 3422181
2-chloro-N-[3-[(2R)-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125328
(2S)-3-[4-[(2S)-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]phenyl]-2-phenyl-1,3-thiazolidin-4-one
CID 1041463
3-(3,5-dimethylphenyl)-2-[4-[3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-1,3-thiazolidin-4-one
CID 4596326
3-(3-chlorophenyl)-2-(3,4-difluorophenyl)-1,3-thiazolidin-4-one
CID 3370393
N-[3-[3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]methanesulfonamide
CID 42804732

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-2-(3-methylphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(3,4-dichlorophenyl)-2-(3-methylphenyl)-1,3-thiazolidin-4-one (CID 145366980) is 3-(3,4-dichlorophenyl)-2-(3-methylphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-2-(3-methylphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(3,4-dichlorophenyl)-2-(3-methylphenyl)-1,3-thiazolidin-4-one is Cc1cccc(C2SCC(=O)N2c2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-2-(3-methylphenyl)-1,3-thiazolidin-4-one?
The InChIKey is KXBVGNRTDJTCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NOS/c1-10-3-2-4-11(7-10)16-19(15(20)9-21-16)12-5-6-13(17)14(18)8-12/h2-8,16H,9H2,1H3.
What are the key properties of 3-(3,4-dichlorophenyl)-2-(3-methylphenyl)-1,3-thiazolidin-4-one?
3-(3,4-dichlorophenyl)-2-(3-methylphenyl)-1,3-thiazolidin-4-one has a molecular weight of 338.26 g/mol, XLogP of 5.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-2-(3-methylphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 145366980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).