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

C13H16N4OS — CID 110485976

IUPAC2-amino-5-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCCc1nnc(NC(=O)c2cc(C)ccc2N)s1
InChIInChI=1S/C13H16N4OS/c1-3-4-11-16-17-13(19-11)15-12(18)9-7-8(2)5-6-10(9)14/h5-7H,3-4,14H2,1-2H3,(H,15,17,18)
InChIKeyRHGXECHQPVYMEI-UHFFFAOYSA-N
MW276.37 g/mol
LogP2.63
Rot. Bonds4

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

2-amino-5-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 110485976) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is 2-amino-5-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-amino-5-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID110485976
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC Name2-amino-5-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCCc1nnc(NC(=O)c2cc(C)ccc2N)s1
InChIInChI=1S/C13H16N4OS/c1-3-4-11-16-17-13(19-11)15-12(18)9-7-8(2)5-6-10(9)14/h5-7H,3-4,14H2,1-2H3,(H,15,17,18)
InChIKeyRHGXECHQPVYMEI-UHFFFAOYSA-N
XLogP2.63
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-amino-5-methyl-N-(5-propyl-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

2,4-dimethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 78792564
2-(methanesulfonamido)-5-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 86846575
2,4-dinitro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 3099815
7-methyl-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)chromene-2-carboxamide
CID 4975873
2,4-difluoro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 9109760
2,3,4-trifluoro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 108808572
N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 677143
3-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 34109190
N-(5-amino-1,3,4-thiadiazol-2-yl)-2,5-dimethylbenzamide
CID 79513275
4-ethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 9109769
3-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 146128553
(2R)-2-(2-bromo-4-methylphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide
CID 51958424

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 2-amino-5-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide (CID 110485976) is 2-amino-5-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 2-amino-5-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 2-amino-5-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide is CCCc1nnc(NC(=O)c2cc(C)ccc2N)s1.
What is the InChIKey of 2-amino-5-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is RHGXECHQPVYMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-3-4-11-16-17-13(19-11)15-12(18)9-7-8(2)5-6-10(9)14/h5-7H,3-4,14H2,1-2H3,(H,15,17,18).
What are the key properties of 2-amino-5-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide?
2-amino-5-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 276.37 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 110485976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).