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

C15H14N4O2S — CID 92561866

IUPAC2-methyl-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
SMILESCc1ccccc1C(=O)NCc1nnc(-c2scnc2C)o1
InChIInChI=1S/C15H14N4O2S/c1-9-5-3-4-6-11(9)14(20)16-7-12-18-19-15(21-12)13-10(2)17-8-22-13/h3-6,8H,7H2,1-2H3,(H,16,20)
InChIKeyHCTZGKRHYFVEPG-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.74
Rot. Bonds4

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

2-methyl-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide (PubChem CID 92561866) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is 2-methyl-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
PubChem CID92561866
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC Name2-methyl-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
SMILESCc1ccccc1C(=O)NCc1nnc(-c2scnc2C)o1
InChIInChI=1S/C15H14N4O2S/c1-9-5-3-4-6-11(9)14(20)16-7-12-18-19-15(21-12)13-10(2)17-8-22-13/h3-6,8H,7H2,1-2H3,(H,16,20)
InChIKeyHCTZGKRHYFVEPG-UHFFFAOYSA-N
XLogP2.74
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The IUPAC name of 2-methyl-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide (CID 92561866) is 2-methyl-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide.
What is the SMILES notation for 2-methyl-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The canonical SMILES for 2-methyl-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide is Cc1ccccc1C(=O)NCc1nnc(-c2scnc2C)o1.
What is the InChIKey of 2-methyl-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The InChIKey is HCTZGKRHYFVEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S/c1-9-5-3-4-6-11(9)14(20)16-7-12-18-19-15(21-12)13-10(2)17-8-22-13/h3-6,8H,7H2,1-2H3,(H,16,20).
What are the key properties of 2-methyl-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide?
2-methyl-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide has a molecular weight of 314.37 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide is sourced from PubChem (CID 92561866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).