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

C16H16N4O2S — CID 126767971

IUPAC2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(4-propyl-1,3-thiazol-2-yl)benzamide
SMILESCCCc1csc(NC(=O)c2ccccc2-c2nnc(C)o2)n1
InChIInChI=1S/C16H16N4O2S/c1-3-6-11-9-23-16(17-11)18-14(21)12-7-4-5-8-13(12)15-20-19-10(2)22-15/h4-5,7-9H,3,6H2,1-2H3,(H,17,18,21)
InChIKeyIMOKSZLULWSDGQ-UHFFFAOYSA-N
MW328.40 g/mol
LogP3.71
Rot. Bonds5

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

2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(4-propyl-1,3-thiazol-2-yl)benzamide (PubChem CID 126767971) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(4-propyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(4-propyl-1,3-thiazol-2-yl)benzamide
PubChem CID126767971
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(4-propyl-1,3-thiazol-2-yl)benzamide
SMILESCCCc1csc(NC(=O)c2ccccc2-c2nnc(C)o2)n1
InChIInChI=1S/C16H16N4O2S/c1-3-6-11-9-23-16(17-11)18-14(21)12-7-4-5-8-13(12)15-20-19-10(2)22-15/h4-5,7-9H,3,6H2,1-2H3,(H,17,18,21)
InChIKeyIMOKSZLULWSDGQ-UHFFFAOYSA-N
XLogP3.71
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(4-propyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(4-propyl-1,3-thiazol-2-yl)benzamide (CID 126767971) is 2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(4-propyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(4-propyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(4-propyl-1,3-thiazol-2-yl)benzamide is CCCc1csc(NC(=O)c2ccccc2-c2nnc(C)o2)n1.
What is the InChIKey of 2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(4-propyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is IMOKSZLULWSDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-3-6-11-9-23-16(17-11)18-14(21)12-7-4-5-8-13(12)15-20-19-10(2)22-15/h4-5,7-9H,3,6H2,1-2H3,(H,17,18,21).
What are the key properties of 2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(4-propyl-1,3-thiazol-2-yl)benzamide?
2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(4-propyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 328.40 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(4-propyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 126767971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).