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

C14H15N5OS — CID 22517719

IUPAC3-methyl-N-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzamide
SMILESCCCc1nnc2sc(NC(=O)c3cccc(C)c3)nn12
InChIInChI=1S/C14H15N5OS/c1-3-5-11-16-17-14-19(11)18-13(21-14)15-12(20)10-7-4-6-9(2)8-10/h4,6-8H,3,5H2,1-2H3,(H,15,18,20)
InChIKeyQJGRTXFYNFWRGP-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.70
Rot. Bonds4

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

3-methyl-N-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzamide (PubChem CID 22517719) has the molecular formula C14H15N5OS and a molecular weight of 301.38 g/mol. Its IUPAC name is 3-methyl-N-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzamide.

Molecular Properties

Compound Name3-methyl-N-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzamide
PubChem CID22517719
Molecular FormulaC14H15N5OS
Molecular Weight301.38 g/mol
Exact Mass301.10
IUPAC Name3-methyl-N-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzamide
SMILESCCCc1nnc2sc(NC(=O)c3cccc(C)c3)nn12
InChIInChI=1S/C14H15N5OS/c1-3-5-11-16-17-14-19(11)18-13(21-14)15-12(20)10-7-4-6-9(2)8-10/h4,6-8H,3,5H2,1-2H3,(H,15,18,20)
InChIKeyQJGRTXFYNFWRGP-UHFFFAOYSA-N
XLogP2.70
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-methyl-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

3-methyl-N-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzamide
CID 22517718
4-methoxy-N-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzamide
CID 22517740
2-bromo-N-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzamide
CID 53095690
3-methoxy-N-[3-(3-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide
CID 22517762
N-[3-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide
CID 17219502
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
3-methyl-N-[5-[2-[2-[5-[(3-methylbenzoyl)amino]-1,3,4-thiadiazol-2-yl]ethoxy]ethyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 3101002
3-methyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
CID 17319774
3-chloro-4-methyl-N-[4-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide
CID 17219607
3-fluoro-N-[[4-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl]benzamide
CID 25239429
N-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3-fluorobenzamide
CID 22517796

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzamide?
The IUPAC name of 3-methyl-N-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzamide (CID 22517719) is 3-methyl-N-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzamide.
What is the SMILES notation for 3-methyl-N-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzamide?
The canonical SMILES for 3-methyl-N-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzamide is CCCc1nnc2sc(NC(=O)c3cccc(C)c3)nn12.
What is the InChIKey of 3-methyl-N-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzamide?
The InChIKey is QJGRTXFYNFWRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5OS/c1-3-5-11-16-17-14-19(11)18-13(21-14)15-12(20)10-7-4-6-9(2)8-10/h4,6-8H,3,5H2,1-2H3,(H,15,18,20).
What are the key properties of 3-methyl-N-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzamide?
3-methyl-N-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzamide has a molecular weight of 301.38 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzamide is sourced from PubChem (CID 22517719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).