3-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)-1,3-thiazolidin-4-one

C16H10ClFN2OS2 — CID 155924056

IUPAC3-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(F)cc2)N1c1nc2c(Cl)cccc2s1
InChIInChI=1S/C16H10ClFN2OS2/c17-11-2-1-3-12-14(11)19-16(23-12)20-13(21)8-22-15(20)9-4-6-10(18)7-5-9/h1-7,15H,8H2
InChIKeyXJGQJVWDXRTUID-UHFFFAOYSA-N
MW364.85 g/mol
LogP4.87
Rot. Bonds2

About 3-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)-1,3-thiazolidin-4-one

3-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)-1,3-thiazolidin-4-one (PubChem CID 155924056) has the molecular formula C16H10ClFN2OS2 and a molecular weight of 364.85 g/mol. Its IUPAC name is 3-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)-1,3-thiazolidin-4-one
PubChem CID155924056
Molecular FormulaC16H10ClFN2OS2
Molecular Weight364.85 g/mol
Exact Mass363.99
IUPAC Name3-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(F)cc2)N1c1nc2c(Cl)cccc2s1
InChIInChI=1S/C16H10ClFN2OS2/c17-11-2-1-3-12-14(11)19-16(23-12)20-13(21)8-22-15(20)9-4-6-10(18)7-5-9/h1-7,15H,8H2
InChIKeyXJGQJVWDXRTUID-UHFFFAOYSA-N
XLogP4.87
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)-1,3-thiazolidin-4-one (CID 155924056) is 3-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)-1,3-thiazolidin-4-one is O=C1CSC(c2ccc(F)cc2)N1c1nc2c(Cl)cccc2s1.
What is the InChIKey of 3-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)-1,3-thiazolidin-4-one?
The InChIKey is XJGQJVWDXRTUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClFN2OS2/c17-11-2-1-3-12-14(11)19-16(23-12)20-13(21)8-22-15(20)9-4-6-10(18)7-5-9/h1-7,15H,8H2.
What are the key properties of 3-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)-1,3-thiazolidin-4-one?
3-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)-1,3-thiazolidin-4-one has a molecular weight of 364.85 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 155924056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).