2-(3-fluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one

C12H10FN3OS2 — CID 72734685

IUPAC2-(3-fluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one
SMILESCc1nnc(N2C(=O)CSC2c2cccc(F)c2)s1
InChIInChI=1S/C12H10FN3OS2/c1-7-14-15-12(19-7)16-10(17)6-18-11(16)8-3-2-4-9(13)5-8/h2-5,11H,6H2,1H3
InChIKeyXMCVBDAKPLIVJE-UHFFFAOYSA-N
MW295.36 g/mol
LogP2.76
Rot. Bonds2

About 2-(3-fluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one

2-(3-fluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one (PubChem CID 72734685) has the molecular formula C12H10FN3OS2 and a molecular weight of 295.36 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3-fluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one
PubChem CID72734685
Molecular FormulaC12H10FN3OS2
Molecular Weight295.36 g/mol
Exact Mass295.02
IUPAC Name2-(3-fluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one
SMILESCc1nnc(N2C(=O)CSC2c2cccc(F)c2)s1
InChIInChI=1S/C12H10FN3OS2/c1-7-14-15-12(19-7)16-10(17)6-18-11(16)8-3-2-4-9(13)5-8/h2-5,11H,6H2,1H3
InChIKeyXMCVBDAKPLIVJE-UHFFFAOYSA-N
XLogP2.76
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(3-fluorophenyl)-3-[2-[(2R)-2-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
CID 3066277
2-(3-hydroxyphenyl)-3-[5-(2-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazolidin-4-one
CID 135439612
(2S)-2-phenyl-3-[5-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]-1,3-thiazolidin-4-one
CID 139070224
(2R)-3-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 139069698
3-[5-(2-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-1,3-thiazolidin-4-one
CID 135419304
2-(4-chlorophenyl)-3-(3-fluorophenyl)-1,3-thiazolidin-4-one
CID 4232760
2-(3-aminophenyl)-3-(4-fluorophenyl)-1,3-thiazolidin-4-one
CID 42803978
2-(3-chlorophenyl)-3-(3,5-dimethylphenyl)-1,3-thiazolidin-4-one
CID 11842557
(1S)-1-(3-fluorophenyl)-7-methyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2006015
3-fluoro-N-[3-[(2S)-3-(3-fluoro-4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93127958
3-(2,4-difluorophenyl)-2-phenyl-1,3-thiazolidin-4-one
CID 5129446
2-(3-aminophenyl)-3-(3-fluoro-2-methylphenyl)-1,3-thiazolidin-4-one
CID 24716037

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3-fluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one (CID 72734685) is 2-(3-fluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3-fluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3-fluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one is Cc1nnc(N2C(=O)CSC2c2cccc(F)c2)s1.
What is the InChIKey of 2-(3-fluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one?
The InChIKey is XMCVBDAKPLIVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3OS2/c1-7-14-15-12(19-7)16-10(17)6-18-11(16)8-3-2-4-9(13)5-8/h2-5,11H,6H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one?
2-(3-fluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one has a molecular weight of 295.36 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 72734685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).