2-(2-chloro-6-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one

C13H10ClFN2OS2 — CID 16728002

IUPAC2-(2-chloro-6-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
SMILESCc1csc(N2C(=O)CSC2c2c(F)cccc2Cl)n1
InChIInChI=1S/C13H10ClFN2OS2/c1-7-5-20-13(16-7)17-10(18)6-19-12(17)11-8(14)3-2-4-9(11)15/h2-5,12H,6H2,1H3
InChIKeyRZPWYWJBRURJDS-UHFFFAOYSA-N
MW328.82 g/mol
LogP4.02
Rot. Bonds2

About 2-(2-chloro-6-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one

2-(2-chloro-6-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one (PubChem CID 16728002) has the molecular formula C13H10ClFN2OS2 and a molecular weight of 328.82 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
PubChem CID16728002
Molecular FormulaC13H10ClFN2OS2
Molecular Weight328.82 g/mol
Exact Mass327.99
IUPAC Name2-(2-chloro-6-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
SMILESCc1csc(N2C(=O)CSC2c2c(F)cccc2Cl)n1
InChIInChI=1S/C13H10ClFN2OS2/c1-7-5-20-13(16-7)17-10(18)6-19-12(17)11-8(14)3-2-4-9(11)15/h2-5,12H,6H2,1H3
InChIKeyRZPWYWJBRURJDS-UHFFFAOYSA-N
XLogP4.02
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.82
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one (CID 16728002) is 2-(2-chloro-6-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one is Cc1csc(N2C(=O)CSC2c2c(F)cccc2Cl)n1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
The InChIKey is RZPWYWJBRURJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2OS2/c1-7-5-20-13(16-7)17-10(18)6-19-12(17)11-8(14)3-2-4-9(11)15/h2-5,12H,6H2,1H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
2-(2-chloro-6-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one has a molecular weight of 328.82 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 16728002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).