N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-methylbenzamide

C11H12N4OS — CID 92660456

IUPACN-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCc1nnc(N)s1
InChIInChI=1S/C11H12N4OS/c1-7-4-2-3-5-8(7)10(16)13-6-9-14-15-11(12)17-9/h2-5H,6H2,1H3,(H2,12,15)(H,13,16)
InChIKeyAUPWBSLCEHHSOZ-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.36
Rot. Bonds3

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

N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-methylbenzamide (PubChem CID 92660456) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-methylbenzamide
PubChem CID92660456
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC NameN-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCc1nnc(N)s1
InChIInChI=1S/C11H12N4OS/c1-7-4-2-3-5-8(7)10(16)13-6-9-14-15-11(12)17-9/h2-5H,6H2,1H3,(H2,12,15)(H,13,16)
InChIKeyAUPWBSLCEHHSOZ-UHFFFAOYSA-N
XLogP1.36
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-methylbenzamide 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

N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-methylsulfanylbenzamide
CID 91768199
N-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylbenzamide
CID 79516914
N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-methoxy-4-methylbenzamide
CID 122567122
N-[(4-aminophenyl)methyl]-2-methylbenzamide
CID 60892796
4-acetamido-N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]benzamide
CID 92659597
N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 122565573
2-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 87041318
N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-phenylprop-2-enamide
CID 171137537
(3S)-N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(4-methylphenyl)-3-phenylpropanamide
CID 124844604
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-nitrobenzamide
CID 92659482
ethyl 2-[[(2-methylbenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 19864880
5-amino-2-methyl-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]benzamide;hydrochloride
CID 120635768

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-methylbenzamide?
The IUPAC name of N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-methylbenzamide (CID 92660456) is N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-methylbenzamide.
What is the SMILES notation for N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-methylbenzamide?
The canonical SMILES for N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCc1nnc(N)s1.
What is the InChIKey of N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-methylbenzamide?
The InChIKey is AUPWBSLCEHHSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c1-7-4-2-3-5-8(7)10(16)13-6-9-14-15-11(12)17-9/h2-5H,6H2,1H3,(H2,12,15)(H,13,16).
What are the key properties of N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-methylbenzamide?
N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-methylbenzamide has a molecular weight of 248.31 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-methylbenzamide is sourced from PubChem (CID 92660456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).