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

C17H11ClN4O2S — CID 139228144

IUPAC2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-3-phenyl-1,3-thiazolidin-4-one
SMILESO=C1CSC(=Nc2nnc(-c3ccc(Cl)cc3)o2)N1c1ccccc1
InChIInChI=1S/C17H11ClN4O2S/c18-12-8-6-11(7-9-12)15-20-21-16(24-15)19-17-22(14(23)10-25-17)13-4-2-1-3-5-13/h1-9H,10H2
InChIKeyOSEALLQOYHFKAC-UHFFFAOYSA-N
MW370.82 g/mol
LogP4.16
Rot. Bonds3

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

2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-3-phenyl-1,3-thiazolidin-4-one (PubChem CID 139228144) has the molecular formula C17H11ClN4O2S and a molecular weight of 370.82 g/mol. Its IUPAC name is 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-3-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-3-phenyl-1,3-thiazolidin-4-one
PubChem CID139228144
Molecular FormulaC17H11ClN4O2S
Molecular Weight370.82 g/mol
Exact Mass370.03
IUPAC Name2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-3-phenyl-1,3-thiazolidin-4-one
SMILESO=C1CSC(=Nc2nnc(-c3ccc(Cl)cc3)o2)N1c1ccccc1
InChIInChI=1S/C17H11ClN4O2S/c18-12-8-6-11(7-9-12)15-20-21-16(24-15)19-17-22(14(23)10-25-17)13-4-2-1-3-5-13/h1-9H,10H2
InChIKeyOSEALLQOYHFKAC-UHFFFAOYSA-N
XLogP4.16
TPSA71.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.82
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-3-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-3-phenyl-1,3-thiazolidin-4-one (CID 139228144) is 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-3-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-3-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-3-phenyl-1,3-thiazolidin-4-one is O=C1CSC(=Nc2nnc(-c3ccc(Cl)cc3)o2)N1c1ccccc1.
What is the InChIKey of 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-3-phenyl-1,3-thiazolidin-4-one?
The InChIKey is OSEALLQOYHFKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN4O2S/c18-12-8-6-11(7-9-12)15-20-21-16(24-15)19-17-22(14(23)10-25-17)13-4-2-1-3-5-13/h1-9H,10H2.
What are the key properties of 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-3-phenyl-1,3-thiazolidin-4-one?
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-3-phenyl-1,3-thiazolidin-4-one has a molecular weight of 370.82 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-3-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 139228144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).