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

C16H13BrClNOS — CID 3288399

IUPAC2-(3-bromophenyl)-3-(3-chloro-4-methylphenyl)-1,3-thiazolidin-4-one
SMILESCc1ccc(N2C(=O)CSC2c2cccc(Br)c2)cc1Cl
InChIInChI=1S/C16H13BrClNOS/c1-10-5-6-13(8-14(10)18)19-15(20)9-21-16(19)11-3-2-4-12(17)7-11/h2-8,16H,9H2,1H3
InChIKeyWENVRZMWKWFYCP-UHFFFAOYSA-N
MW382.71 g/mol
LogP5.19
Rot. Bonds2

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

2-(3-bromophenyl)-3-(3-chloro-4-methylphenyl)-1,3-thiazolidin-4-one (PubChem CID 3288399) has the molecular formula C16H13BrClNOS and a molecular weight of 382.71 g/mol. Its IUPAC name is 2-(3-bromophenyl)-3-(3-chloro-4-methylphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3-bromophenyl)-3-(3-chloro-4-methylphenyl)-1,3-thiazolidin-4-one
PubChem CID3288399
Molecular FormulaC16H13BrClNOS
Molecular Weight382.71 g/mol
Exact Mass380.96
IUPAC Name2-(3-bromophenyl)-3-(3-chloro-4-methylphenyl)-1,3-thiazolidin-4-one
SMILESCc1ccc(N2C(=O)CSC2c2cccc(Br)c2)cc1Cl
InChIInChI=1S/C16H13BrClNOS/c1-10-5-6-13(8-14(10)18)19-15(20)9-21-16(19)11-3-2-4-12(17)7-11/h2-8,16H,9H2,1H3
InChIKeyWENVRZMWKWFYCP-UHFFFAOYSA-N
XLogP5.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.71
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-3-(3-chloro-4-methylphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3-bromophenyl)-3-(3-chloro-4-methylphenyl)-1,3-thiazolidin-4-one (CID 3288399) is 2-(3-bromophenyl)-3-(3-chloro-4-methylphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3-bromophenyl)-3-(3-chloro-4-methylphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3-bromophenyl)-3-(3-chloro-4-methylphenyl)-1,3-thiazolidin-4-one is Cc1ccc(N2C(=O)CSC2c2cccc(Br)c2)cc1Cl.
What is the InChIKey of 2-(3-bromophenyl)-3-(3-chloro-4-methylphenyl)-1,3-thiazolidin-4-one?
The InChIKey is WENVRZMWKWFYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrClNOS/c1-10-5-6-13(8-14(10)18)19-15(20)9-21-16(19)11-3-2-4-12(17)7-11/h2-8,16H,9H2,1H3.
What are the key properties of 2-(3-bromophenyl)-3-(3-chloro-4-methylphenyl)-1,3-thiazolidin-4-one?
2-(3-bromophenyl)-3-(3-chloro-4-methylphenyl)-1,3-thiazolidin-4-one has a molecular weight of 382.71 g/mol, XLogP of 5.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-3-(3-chloro-4-methylphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3288399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).