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

C13H13N3O2S — CID 151918445

IUPAC2-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3-thiazolidin-4-one
SMILESCc1nnc(-c2ccc(C3NC(=O)CS3)c(C)c2)o1
InChIInChI=1S/C13H13N3O2S/c1-7-5-9(12-16-15-8(2)18-12)3-4-10(7)13-14-11(17)6-19-13/h3-5,13H,6H2,1-2H3,(H,14,17)
InChIKeySWGGLWGRKLASBJ-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.22
Rot. Bonds2

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

2-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3-thiazolidin-4-one (PubChem CID 151918445) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3-thiazolidin-4-one
PubChem CID151918445
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC Name2-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3-thiazolidin-4-one
SMILESCc1nnc(-c2ccc(C3NC(=O)CS3)c(C)c2)o1
InChIInChI=1S/C13H13N3O2S/c1-7-5-9(12-16-15-8(2)18-12)3-4-10(7)13-14-11(17)6-19-13/h3-5,13H,6H2,1-2H3,(H,14,17)
InChIKeySWGGLWGRKLASBJ-UHFFFAOYSA-N
XLogP2.22
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3-thiazolidin-4-one with MolForge

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Related Compounds

N-cyclopropyl-2',6-dimethyl-4'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-3-carboxamide
CID 10089048
N-(cyclopropylmethyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-carboxamide
CID 21078798
N-benzyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 25093465
N-(3-hydroxypropyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 11484931
N-(cyclopropylmethyl)-4-[2-methyl-5-(5-propyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 21078793
N-(cyclopropylmethyl)-4-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methylphenyl]benzamide
CID 21078794
N-Cyclohexyl-2-(5-o-tolyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamide
CID 648780
N-Cyclopentyl-2-(5-m-tolyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamide
CID 861643
1-(Pyrrolidin-1-yl)-2-((5-(o-tolyl)-1,3,4-oxadiazol-2-yl)thio)ethanone
CID 861657
N-Cyclopropyl-2-(5-p-tolyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamide
CID 1433144
N-cyclopropyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 2595598
N-cyclopropyl-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7801686

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3-thiazolidin-4-one (CID 151918445) is 2-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3-thiazolidin-4-one is Cc1nnc(-c2ccc(C3NC(=O)CS3)c(C)c2)o1.
What is the InChIKey of 2-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3-thiazolidin-4-one?
The InChIKey is SWGGLWGRKLASBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c1-7-5-9(12-16-15-8(2)18-12)3-4-10(7)13-14-11(17)6-19-13/h3-5,13H,6H2,1-2H3,(H,14,17).
What are the key properties of 2-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3-thiazolidin-4-one?
2-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3-thiazolidin-4-one has a molecular weight of 275.33 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 151918445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).