2-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propylbenzamide

C20H21N3OS — CID 1444730

IUPAC2-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propylbenzamide
SMILESCCCN(C(=O)c1ccccc1C)c1nnc(-c2ccccc2C)s1
InChIInChI=1S/C20H21N3OS/c1-4-13-23(19(24)17-12-8-6-10-15(17)3)20-22-21-18(25-20)16-11-7-5-9-14(16)2/h5-12H,4,13H2,1-3H3
InChIKeyXFFVEXVYTUWVTJ-UHFFFAOYSA-N
MW351.48 g/mol
LogP4.88
Rot. Bonds5

About 2-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propylbenzamide

2-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propylbenzamide (PubChem CID 1444730) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is 2-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propylbenzamide.

Molecular Properties

Compound Name2-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propylbenzamide
PubChem CID1444730
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC Name2-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propylbenzamide
SMILESCCCN(C(=O)c1ccccc1C)c1nnc(-c2ccccc2C)s1
InChIInChI=1S/C20H21N3OS/c1-4-13-23(19(24)17-12-8-6-10-15(17)3)20-22-21-18(25-20)16-11-7-5-9-14(16)2/h5-12H,4,13H2,1-3H3
InChIKeyXFFVEXVYTUWVTJ-UHFFFAOYSA-N
XLogP4.88
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propylbenzamide 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-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propylbenzamide?
The IUPAC name of 2-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propylbenzamide (CID 1444730) is 2-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propylbenzamide.
What is the SMILES notation for 2-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propylbenzamide?
The canonical SMILES for 2-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propylbenzamide is CCCN(C(=O)c1ccccc1C)c1nnc(-c2ccccc2C)s1.
What is the InChIKey of 2-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propylbenzamide?
The InChIKey is XFFVEXVYTUWVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS/c1-4-13-23(19(24)17-12-8-6-10-15(17)3)20-22-21-18(25-20)16-11-7-5-9-14(16)2/h5-12H,4,13H2,1-3H3.
What are the key properties of 2-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propylbenzamide?
2-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propylbenzamide has a molecular weight of 351.48 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propylbenzamide is sourced from PubChem (CID 1444730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).