2-(2,6-dichlorophenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one

C14H12Cl2N2OS2 — CID 16728005

IUPAC2-(2,6-dichlorophenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
SMILESCc1nc(N2C(=O)CSC2c2c(Cl)cccc2Cl)sc1C
InChIInChI=1S/C14H12Cl2N2OS2/c1-7-8(2)21-14(17-7)18-11(19)6-20-13(18)12-9(15)4-3-5-10(12)16/h3-5,13H,6H2,1-2H3
InChIKeyKFUUDUGHIVINNF-UHFFFAOYSA-N
MW359.30 g/mol
LogP4.85
Rot. Bonds2

About 2-(2,6-dichlorophenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one

2-(2,6-dichlorophenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one (PubChem CID 16728005) has the molecular formula C14H12Cl2N2OS2 and a molecular weight of 359.30 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
PubChem CID16728005
Molecular FormulaC14H12Cl2N2OS2
Molecular Weight359.30 g/mol
Exact Mass357.98
IUPAC Name2-(2,6-dichlorophenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
SMILESCc1nc(N2C(=O)CSC2c2c(Cl)cccc2Cl)sc1C
InChIInChI=1S/C14H12Cl2N2OS2/c1-7-8(2)21-14(17-7)18-11(19)6-20-13(18)12-9(15)4-3-5-10(12)16/h3-5,13H,6H2,1-2H3
InChIKeyKFUUDUGHIVINNF-UHFFFAOYSA-N
XLogP4.85
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.30
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2,6-dichlorophenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one (CID 16728005) is 2-(2,6-dichlorophenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2,6-dichlorophenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one is Cc1nc(N2C(=O)CSC2c2c(Cl)cccc2Cl)sc1C.
What is the InChIKey of 2-(2,6-dichlorophenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
The InChIKey is KFUUDUGHIVINNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2OS2/c1-7-8(2)21-14(17-7)18-11(19)6-20-13(18)12-9(15)4-3-5-10(12)16/h3-5,13H,6H2,1-2H3.
What are the key properties of 2-(2,6-dichlorophenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
2-(2,6-dichlorophenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one has a molecular weight of 359.30 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 16728005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).