2,5-dimethyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide

C15H14N4O2S — CID 90602901

IUPAC2,5-dimethyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCc1ccc(C)c(C(=O)Nc2nnc(-c3csc(C)n3)o2)c1
InChIInChI=1S/C15H14N4O2S/c1-8-4-5-9(2)11(6-8)13(20)17-15-19-18-14(21-15)12-7-22-10(3)16-12/h4-7H,1-3H3,(H,17,19,20)
InChIKeyMYIVKBXZTOJMRI-UHFFFAOYSA-N
MW314.37 g/mol
LogP3.37
Rot. Bonds3

About 2,5-dimethyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide

2,5-dimethyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 90602901) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is 2,5-dimethyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID90602901
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC Name2,5-dimethyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCc1ccc(C)c(C(=O)Nc2nnc(-c3csc(C)n3)o2)c1
InChIInChI=1S/C15H14N4O2S/c1-8-4-5-9(2)11(6-8)13(20)17-15-19-18-14(21-15)12-7-22-10(3)16-12/h4-7H,1-3H3,(H,17,19,20)
InChIKeyMYIVKBXZTOJMRI-UHFFFAOYSA-N
XLogP3.37
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 90602753
3,5-dimethyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 90602756
3-methoxy-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide
CID 90602900
1-(3,4-dimethylphenyl)-3-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]urea
CID 90602974
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylbenzamide
CID 4129515
N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-3-nitrobenzamide
CID 90602788
N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-3-propan-2-ylsulfanylbenzamide
CID 90602930
N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylbenzamide
CID 4064257
1-ethyl-7-methyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-4-oxo-1,8-naphthyridine-3-carboxamide
CID 90602858
2-(4-fluorophenyl)-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 90602820
N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-2-phenyltriazole-4-carboxamide
CID 90602681
N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2,4-dimethylbenzamide
CID 8608535

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 2,5-dimethyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide (CID 90602901) is 2,5-dimethyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 2,5-dimethyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 2,5-dimethyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide is Cc1ccc(C)c(C(=O)Nc2nnc(-c3csc(C)n3)o2)c1.
What is the InChIKey of 2,5-dimethyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is MYIVKBXZTOJMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S/c1-8-4-5-9(2)11(6-8)13(20)17-15-19-18-14(21-15)12-7-22-10(3)16-12/h4-7H,1-3H3,(H,17,19,20).
What are the key properties of 2,5-dimethyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide?
2,5-dimethyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 314.37 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 90602901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).