2-(4-chlorophenyl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3-thiazol-4-one

C12H8ClN3O2S — CID 71609953

IUPAC2-(4-chlorophenyl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3-thiazol-4-one
SMILESCc1nnc(C2SC(c3ccc(Cl)cc3)=NC2=O)o1
InChIInChI=1S/C12H8ClN3O2S/c1-6-15-16-11(18-6)9-10(17)14-12(19-9)7-2-4-8(13)5-3-7/h2-5,9H,1H3
InChIKeyDLCRVPJVBHTQSO-UHFFFAOYSA-N
MW293.74 g/mol
LogP2.79
Rot. Bonds2

About 2-(4-chlorophenyl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3-thiazol-4-one

2-(4-chlorophenyl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3-thiazol-4-one (PubChem CID 71609953) has the molecular formula C12H8ClN3O2S and a molecular weight of 293.74 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3-thiazol-4-one
PubChem CID71609953
Molecular FormulaC12H8ClN3O2S
Molecular Weight293.74 g/mol
Exact Mass293.00
IUPAC Name2-(4-chlorophenyl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3-thiazol-4-one
SMILESCc1nnc(C2SC(c3ccc(Cl)cc3)=NC2=O)o1
InChIInChI=1S/C12H8ClN3O2S/c1-6-15-16-11(18-6)9-10(17)14-12(19-9)7-2-4-8(13)5-3-7/h2-5,9H,1H3
InChIKeyDLCRVPJVBHTQSO-UHFFFAOYSA-N
XLogP2.79
TPSA68.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.74
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3-thiazol-4-one?
The IUPAC name of 2-(4-chlorophenyl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3-thiazol-4-one (CID 71609953) is 2-(4-chlorophenyl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3-thiazol-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3-thiazol-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3-thiazol-4-one is Cc1nnc(C2SC(c3ccc(Cl)cc3)=NC2=O)o1.
What is the InChIKey of 2-(4-chlorophenyl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3-thiazol-4-one?
The InChIKey is DLCRVPJVBHTQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3O2S/c1-6-15-16-11(18-6)9-10(17)14-12(19-9)7-2-4-8(13)5-3-7/h2-5,9H,1H3.
What are the key properties of 2-(4-chlorophenyl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3-thiazol-4-one?
2-(4-chlorophenyl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3-thiazol-4-one has a molecular weight of 293.74 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3-thiazol-4-one is sourced from PubChem (CID 71609953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).