2-methyl-N-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-thiazole-4-carboxamide

C16H16N4O2S — CID 131905398

IUPAC2-methyl-N-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NC(C)c2nc(-c3ccccc3C)no2)cs1
InChIInChI=1S/C16H16N4O2S/c1-9-6-4-5-7-12(9)14-19-16(22-20-14)10(2)17-15(21)13-8-23-11(3)18-13/h4-8,10H,1-3H3,(H,17,21)
InChIKeyFYZMWJJHAFKYSP-UHFFFAOYSA-N
MW328.40 g/mol
LogP3.30
Rot. Bonds4

About 2-methyl-N-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-thiazole-4-carboxamide

2-methyl-N-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 131905398) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 2-methyl-N-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-thiazole-4-carboxamide
PubChem CID131905398
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name2-methyl-N-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NC(C)c2nc(-c3ccccc3C)no2)cs1
InChIInChI=1S/C16H16N4O2S/c1-9-6-4-5-7-12(9)14-19-16(22-20-14)10(2)17-15(21)13-8-23-11(3)18-13/h4-8,10H,1-3H3,(H,17,21)
InChIKeyFYZMWJJHAFKYSP-UHFFFAOYSA-N
XLogP3.30
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-N-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-methyl-N-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-thiazole-4-carboxamide (CID 131905398) is 2-methyl-N-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-methyl-N-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)NC(C)c2nc(-c3ccccc3C)no2)cs1.
What is the InChIKey of 2-methyl-N-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is FYZMWJJHAFKYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-9-6-4-5-7-12(9)14-19-16(22-20-14)10(2)17-15(21)13-8-23-11(3)18-13/h4-8,10H,1-3H3,(H,17,21).
What are the key properties of 2-methyl-N-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-thiazole-4-carboxamide?
2-methyl-N-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 328.40 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 131905398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).