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

C17H12ClN3OS2 — CID 134102173

IUPAC3-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-4-phenyl-1,3-thiazolidin-2-one
SMILESO=C1SCC(c2ccccc2)N1c1nnc(-c2ccccc2Cl)s1
InChIInChI=1S/C17H12ClN3OS2/c18-13-9-5-4-8-12(13)15-19-20-16(24-15)21-14(10-23-17(21)22)11-6-2-1-3-7-11/h1-9,14H,10H2
InChIKeyOFCHFLVROUOVRN-UHFFFAOYSA-N
MW373.89 g/mol
LogP5.27
Rot. Bonds3

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

3-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-4-phenyl-1,3-thiazolidin-2-one (PubChem CID 134102173) has the molecular formula C17H12ClN3OS2 and a molecular weight of 373.89 g/mol. Its IUPAC name is 3-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-4-phenyl-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name3-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-4-phenyl-1,3-thiazolidin-2-one
PubChem CID134102173
Molecular FormulaC17H12ClN3OS2
Molecular Weight373.89 g/mol
Exact Mass373.01
IUPAC Name3-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-4-phenyl-1,3-thiazolidin-2-one
SMILESO=C1SCC(c2ccccc2)N1c1nnc(-c2ccccc2Cl)s1
InChIInChI=1S/C17H12ClN3OS2/c18-13-9-5-4-8-12(13)15-19-20-16(24-15)21-14(10-23-17(21)22)11-6-2-1-3-7-11/h1-9,14H,10H2
InChIKeyOFCHFLVROUOVRN-UHFFFAOYSA-N
XLogP5.27
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.89
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-4-phenyl-1,3-thiazolidin-2-one?
The IUPAC name of 3-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-4-phenyl-1,3-thiazolidin-2-one (CID 134102173) is 3-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-4-phenyl-1,3-thiazolidin-2-one.
What is the SMILES notation for 3-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-4-phenyl-1,3-thiazolidin-2-one?
The canonical SMILES for 3-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-4-phenyl-1,3-thiazolidin-2-one is O=C1SCC(c2ccccc2)N1c1nnc(-c2ccccc2Cl)s1.
What is the InChIKey of 3-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-4-phenyl-1,3-thiazolidin-2-one?
The InChIKey is OFCHFLVROUOVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3OS2/c18-13-9-5-4-8-12(13)15-19-20-16(24-15)21-14(10-23-17(21)22)11-6-2-1-3-7-11/h1-9,14H,10H2.
What are the key properties of 3-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-4-phenyl-1,3-thiazolidin-2-one?
3-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-4-phenyl-1,3-thiazolidin-2-one has a molecular weight of 373.89 g/mol, XLogP of 5.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-4-phenyl-1,3-thiazolidin-2-one is sourced from PubChem (CID 134102173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).