(2S)-3-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-1,3-thiazolidin-4-one

C17H12FN3OS2 — CID 139068977

IUPAC(2S)-3-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-1,3-thiazolidin-4-one
SMILESO=C1CS[C@@H](c2ccccc2)N1c1nnc(-c2ccc(F)cc2)s1
InChIInChI=1S/C17H12FN3OS2/c18-13-8-6-11(7-9-13)15-19-20-17(24-15)21-14(22)10-23-16(21)12-4-2-1-3-5-12/h1-9,16H,10H2/t16-/m0/s1
InChIKeyPFNLLEVIDYJQQK-INIZCTEOSA-N
MW357.44 g/mol
LogP4.12
Rot. Bonds3

About (2S)-3-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-1,3-thiazolidin-4-one

(2S)-3-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-1,3-thiazolidin-4-one (PubChem CID 139068977) has the molecular formula C17H12FN3OS2 and a molecular weight of 357.44 g/mol. Its IUPAC name is (2S)-3-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2S)-3-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-1,3-thiazolidin-4-one
PubChem CID139068977
Molecular FormulaC17H12FN3OS2
Molecular Weight357.44 g/mol
Exact Mass357.04
IUPAC Name(2S)-3-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-1,3-thiazolidin-4-one
SMILESO=C1CS[C@@H](c2ccccc2)N1c1nnc(-c2ccc(F)cc2)s1
InChIInChI=1S/C17H12FN3OS2/c18-13-8-6-11(7-9-13)15-19-20-17(24-15)21-14(22)10-23-16(21)12-4-2-1-3-5-12/h1-9,16H,10H2/t16-/m0/s1
InChIKeyPFNLLEVIDYJQQK-INIZCTEOSA-N
XLogP4.12
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-Cyclopentyl-N-(5-p-tolyl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 1444816
N-butyl-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
CID 70685212
2-(4-Fluorophenyl)-3-(1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one
CID 353178
2-(2,6-Difluorophenyl)-3-(1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one
CID 356528
N-cyclopentyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
CID 1444698
N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-methylbutanamide
CID 1451546
N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N,2-dimethylpropanamide
CID 1451547
3-[5-(1-Adamantyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-1,3-thiazolidin-4-one
CID 4393821
2-(2-Chloro-6-fluoro-phenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)thiazolidin-4-one
CID 16728008
2-(2,6-Difluorophenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)thiazolidin-4-one
CID 16728009
2-(4-Methylsulfanylphenyl)-3-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one
CID 178300793
2-(4-Ethylphenyl)-3-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one
CID 178312000

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of (2S)-3-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-1,3-thiazolidin-4-one (CID 139068977) is (2S)-3-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2S)-3-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2S)-3-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-1,3-thiazolidin-4-one is O=C1CS[C@@H](c2ccccc2)N1c1nnc(-c2ccc(F)cc2)s1.
What is the InChIKey of (2S)-3-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-1,3-thiazolidin-4-one?
The InChIKey is PFNLLEVIDYJQQK-INIZCTEOSA-N. The full InChI is InChI=1S/C17H12FN3OS2/c18-13-8-6-11(7-9-13)15-19-20-17(24-15)21-14(22)10-23-16(21)12-4-2-1-3-5-12/h1-9,16H,10H2/t16-/m0/s1.
What are the key properties of (2S)-3-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-1,3-thiazolidin-4-one?
(2S)-3-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-1,3-thiazolidin-4-one has a molecular weight of 357.44 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 139068977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).