4-(2-ethylbutanoylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide

C16H20N4O2S — CID 6458348

IUPAC4-(2-ethylbutanoylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCC(CC)C(=O)Nc1ccc(C(=O)Nc2nnc(C)s2)cc1
InChIInChI=1S/C16H20N4O2S/c1-4-11(5-2)14(21)17-13-8-6-12(7-9-13)15(22)18-16-20-19-10(3)23-16/h6-9,11H,4-5H2,1-3H3,(H,17,21)(H,18,20,22)
InChIKeyYGBZTZUOLZNJCK-UHFFFAOYSA-N
MW332.43 g/mol
LogP3.47
Rot. Bonds6

About 4-(2-ethylbutanoylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide

4-(2-ethylbutanoylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 6458348) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 4-(2-ethylbutanoylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(2-ethylbutanoylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID6458348
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name4-(2-ethylbutanoylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCC(CC)C(=O)Nc1ccc(C(=O)Nc2nnc(C)s2)cc1
InChIInChI=1S/C16H20N4O2S/c1-4-11(5-2)14(21)17-13-8-6-12(7-9-13)15(22)18-16-20-19-10(3)23-16/h6-9,11H,4-5H2,1-3H3,(H,17,21)(H,18,20,22)
InChIKeyYGBZTZUOLZNJCK-UHFFFAOYSA-N
XLogP3.47
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(2-ethylbutanoylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide with MolForge

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

Launch Full Analysis

Related Compounds

4-(2-ethylbutanoylamino)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 17309269
4-(2-ethylbutanoylamino)-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 17321708
4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 676913
N-(3,5-dimethylphenyl)-4-(2-ethylbutanoylamino)benzamide
CID 17309070
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propan-2-ylbenzamide
CID 848587
4-tert-butyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 741024
4-(aminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 82546952
4-(2-ethylbutanoylamino)-N-(2-methylphenyl)benzamide
CID 17309184
ethyl 2-[2-[[4-(2-ethylbutanoylamino)benzoyl]amino]-1,3-thiazol-4-yl]acetate
CID 17309220
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-4-(propanoylamino)benzamide
CID 17257379
N-(4-carbamothioylphenyl)-2-ethylbutanamide
CID 24708427
N-(2,5-dimethylphenyl)-4-(2-ethylbutanoylamino)benzamide
CID 17309132

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylbutanoylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 4-(2-ethylbutanoylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide (CID 6458348) is 4-(2-ethylbutanoylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 4-(2-ethylbutanoylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 4-(2-ethylbutanoylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide is CCC(CC)C(=O)Nc1ccc(C(=O)Nc2nnc(C)s2)cc1.
What is the InChIKey of 4-(2-ethylbutanoylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is YGBZTZUOLZNJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-4-11(5-2)14(21)17-13-8-6-12(7-9-13)15(22)18-16-20-19-10(3)23-16/h6-9,11H,4-5H2,1-3H3,(H,17,21)(H,18,20,22).
What are the key properties of 4-(2-ethylbutanoylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
4-(2-ethylbutanoylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 332.43 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylbutanoylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 6458348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).