2-[[5-(propylamino)thiadiazol-4-yl]methoxy]benzamide

C13H16N4O2S — CID 62195489

IUPAC2-[[5-(propylamino)thiadiazol-4-yl]methoxy]benzamide
SMILESCCCNc1snnc1COc1ccccc1C(N)=O
InChIInChI=1S/C13H16N4O2S/c1-2-7-15-13-10(16-17-20-13)8-19-11-6-4-3-5-9(11)12(14)18/h3-6,15H,2,7-8H2,1H3,(H2,14,18)
InChIKeyZMLIVDFEZAJJKD-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.04
Rot. Bonds7

About 2-[[5-(propylamino)thiadiazol-4-yl]methoxy]benzamide

2-[[5-(propylamino)thiadiazol-4-yl]methoxy]benzamide (PubChem CID 62195489) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-[[5-(propylamino)thiadiazol-4-yl]methoxy]benzamide.

Molecular Properties

Compound Name2-[[5-(propylamino)thiadiazol-4-yl]methoxy]benzamide
PubChem CID62195489
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name2-[[5-(propylamino)thiadiazol-4-yl]methoxy]benzamide
SMILESCCCNc1snnc1COc1ccccc1C(N)=O
InChIInChI=1S/C13H16N4O2S/c1-2-7-15-13-10(16-17-20-13)8-19-11-6-4-3-5-9(11)12(14)18/h3-6,15H,2,7-8H2,1H3,(H2,14,18)
InChIKeyZMLIVDFEZAJJKD-UHFFFAOYSA-N
XLogP2.04
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[5-(propylamino)thiadiazol-4-yl]methoxy]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-[[2-(propylamino)-4-pyridinyl]methoxy]benzamide
CID 62463913
4-[(2-methoxy-4-methylphenoxy)methyl]-N-propylthiadiazol-5-amine
CID 62195666
4-[[3-(methoxymethyl)phenoxy]methyl]-N-propylthiadiazol-5-amine
CID 63985599
2-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethoxy]benzamide
CID 9092419
2-[3-(tert-butylamino)propoxy]benzamide
CID 103074303
2-(methylsulfonylmethoxy)benzamide
CID 118665617
2-[5-chloro-2-(ethylamino)pyrimidin-4-yl]oxybenzamide
CID 80862531
2-[(2-methylphenyl)methoxy]benzamide
CID 7642222
2-(fluoromethoxy)benzamide;hydrochloride
CID 141068067
methyl 2-(2-carbamoylphenoxy)acetate
CID 2772027
2-[(2-amino-6-chlorophenyl)methoxy]benzamide
CID 63745089
2-[(2-amino-5-fluorophenyl)methoxy]benzamide
CID 43443894

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(propylamino)thiadiazol-4-yl]methoxy]benzamide?
The IUPAC name of 2-[[5-(propylamino)thiadiazol-4-yl]methoxy]benzamide (CID 62195489) is 2-[[5-(propylamino)thiadiazol-4-yl]methoxy]benzamide.
What is the SMILES notation for 2-[[5-(propylamino)thiadiazol-4-yl]methoxy]benzamide?
The canonical SMILES for 2-[[5-(propylamino)thiadiazol-4-yl]methoxy]benzamide is CCCNc1snnc1COc1ccccc1C(N)=O.
What is the InChIKey of 2-[[5-(propylamino)thiadiazol-4-yl]methoxy]benzamide?
The InChIKey is ZMLIVDFEZAJJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-2-7-15-13-10(16-17-20-13)8-19-11-6-4-3-5-9(11)12(14)18/h3-6,15H,2,7-8H2,1H3,(H2,14,18).
What are the key properties of 2-[[5-(propylamino)thiadiazol-4-yl]methoxy]benzamide?
2-[[5-(propylamino)thiadiazol-4-yl]methoxy]benzamide has a molecular weight of 292.36 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(propylamino)thiadiazol-4-yl]methoxy]benzamide is sourced from PubChem (CID 62195489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).