4-methoxy-N-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzamide

C14H15N5O2S — CID 22517740

IUPAC4-methoxy-N-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzamide
SMILESCCCc1nnc2sc(NC(=O)c3ccc(OC)cc3)nn12
InChIInChI=1S/C14H15N5O2S/c1-3-4-11-16-17-14-19(11)18-13(22-14)15-12(20)9-5-7-10(21-2)8-6-9/h5-8H,3-4H2,1-2H3,(H,15,18,20)
InChIKeyZHOMYCOYUIGNSN-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.40
Rot. Bonds5

About 4-methoxy-N-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzamide

4-methoxy-N-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzamide (PubChem CID 22517740) has the molecular formula C14H15N5O2S and a molecular weight of 317.37 g/mol. Its IUPAC name is 4-methoxy-N-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzamide
PubChem CID22517740
Molecular FormulaC14H15N5O2S
Molecular Weight317.37 g/mol
Exact Mass317.09
IUPAC Name4-methoxy-N-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzamide
SMILESCCCc1nnc2sc(NC(=O)c3ccc(OC)cc3)nn12
InChIInChI=1S/C14H15N5O2S/c1-3-4-11-16-17-14-19(11)18-13(22-14)15-12(20)9-5-7-10(21-2)8-6-9/h5-8H,3-4H2,1-2H3,(H,15,18,20)
InChIKeyZHOMYCOYUIGNSN-UHFFFAOYSA-N
XLogP2.40
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-methoxy-N-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-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-methoxy-N-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzamide
CID 22517739
3-methyl-N-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzamide
CID 22517719
2-bromo-N-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzamide
CID 53095690
4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 825355
2-(4-ethylphenoxy)-N-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide
CID 53095747
4-propan-2-yloxy-N-[4-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide
CID 17219645
2-ethyl-N-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butanamide
CID 53009563
3-methoxy-N-[4-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide
CID 17219626
4-ethoxy-N-[3-(2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide
CID 22517810
4-methoxy-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 3099855
4-methoxy-N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3732616
N-[[4-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methylphenyl]carbamothioyl]-4-methoxybenzamide
CID 17103010

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzamide?
The IUPAC name of 4-methoxy-N-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzamide (CID 22517740) is 4-methoxy-N-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzamide.
What is the SMILES notation for 4-methoxy-N-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzamide?
The canonical SMILES for 4-methoxy-N-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzamide is CCCc1nnc2sc(NC(=O)c3ccc(OC)cc3)nn12.
What is the InChIKey of 4-methoxy-N-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzamide?
The InChIKey is ZHOMYCOYUIGNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2S/c1-3-4-11-16-17-14-19(11)18-13(22-14)15-12(20)9-5-7-10(21-2)8-6-9/h5-8H,3-4H2,1-2H3,(H,15,18,20).
What are the key properties of 4-methoxy-N-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzamide?
4-methoxy-N-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzamide has a molecular weight of 317.37 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzamide is sourced from PubChem (CID 22517740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).