2-(2-chloro-6-fluorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one

C16H13ClFNOS — CID 4247898

IUPAC2-(2-chloro-6-fluorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one
SMILESCc1ccc(N2C(=O)CSC2c2c(F)cccc2Cl)cc1
InChIInChI=1S/C16H13ClFNOS/c1-10-5-7-11(8-6-10)19-14(20)9-21-16(19)15-12(17)3-2-4-13(15)18/h2-8,16H,9H2,1H3
InChIKeyBAXVFRKYXMJMGQ-UHFFFAOYSA-N
MW321.80 g/mol
LogP4.57
Rot. Bonds2

About 2-(2-chloro-6-fluorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one

2-(2-chloro-6-fluorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one (PubChem CID 4247898) has the molecular formula C16H13ClFNOS and a molecular weight of 321.80 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one
PubChem CID4247898
Molecular FormulaC16H13ClFNOS
Molecular Weight321.80 g/mol
Exact Mass321.04
IUPAC Name2-(2-chloro-6-fluorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one
SMILESCc1ccc(N2C(=O)CSC2c2c(F)cccc2Cl)cc1
InChIInChI=1S/C16H13ClFNOS/c1-10-5-7-11(8-6-10)19-14(20)9-21-16(19)15-12(17)3-2-4-13(15)18/h2-8,16H,9H2,1H3
InChIKeyBAXVFRKYXMJMGQ-UHFFFAOYSA-N
XLogP4.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.80
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-Diphenyl-4-thiazolidinone
CID 98327
2-(4-Methylphenyl)-3-phenyl-1,3-thiazolidin-4-one
CID 3107224
3-(2-Fluorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidin-4-one
CID 4245289
3-(2,4-Difluorophenyl)-2-phenyl-1,3-thiazolidin-4-one
CID 5129446
3-(2-Fluorophenyl)-2-phenyl-1,3-thiazolidin-4-one
CID 5129447
2,3-Bis(2-fluorophenyl)-1,3-thiazolidin-4-one
CID 5043541
2-(3-Fluorophenyl)-3-phenyl-1,3-thiazolidin-4-one
CID 4232767
4-Thiazolidinone, 2-(2,6-dichlorophenyl)-3-phenyl-
CID 486674
2-[(2-chlorobenzyl)sulfonyl]-N-methyl-N-phenylacetamide
CID 1488335
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-(3-fluorophenyl)-1,3-thiazolidin-4-one
CID 4247900

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one (CID 4247898) is 2-(2-chloro-6-fluorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one is Cc1ccc(N2C(=O)CSC2c2c(F)cccc2Cl)cc1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one?
The InChIKey is BAXVFRKYXMJMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFNOS/c1-10-5-7-11(8-6-10)19-14(20)9-21-16(19)15-12(17)3-2-4-13(15)18/h2-8,16H,9H2,1H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one?
2-(2-chloro-6-fluorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one has a molecular weight of 321.80 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 4247898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).