N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2,1,3-benzothiadiazole-5-carboxamide

C15H9F3N6OS — CID 91632835

IUPACN-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2,1,3-benzothiadiazole-5-carboxamide
SMILESO=C(NCc1nnc2c(C(F)(F)F)cccn12)c1ccc2nsnc2c1
InChIInChI=1S/C15H9F3N6OS/c16-15(17,18)9-2-1-5-24-12(20-21-13(9)24)7-19-14(25)8-3-4-10-11(6-8)23-26-22-10/h1-6H,7H2,(H,19,25)
InChIKeyCFELQLOXCSZMKF-UHFFFAOYSA-N
MW378.34 g/mol
LogP2.68
Rot. Bonds3

About N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2,1,3-benzothiadiazole-5-carboxamide

N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2,1,3-benzothiadiazole-5-carboxamide (PubChem CID 91632835) has the molecular formula C15H9F3N6OS and a molecular weight of 378.34 g/mol. Its IUPAC name is N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2,1,3-benzothiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2,1,3-benzothiadiazole-5-carboxamide
PubChem CID91632835
Molecular FormulaC15H9F3N6OS
Molecular Weight378.34 g/mol
Exact Mass378.05
IUPAC NameN-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2,1,3-benzothiadiazole-5-carboxamide
SMILESO=C(NCc1nnc2c(C(F)(F)F)cccn12)c1ccc2nsnc2c1
InChIInChI=1S/C15H9F3N6OS/c16-15(17,18)9-2-1-5-24-12(20-21-13(9)24)7-19-14(25)8-3-4-10-11(6-8)23-26-22-10/h1-6H,7H2,(H,19,25)
InChIKeyCFELQLOXCSZMKF-UHFFFAOYSA-N
XLogP2.68
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2,1,3-benzothiadiazole-5-carboxamide 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-pyrrol-1-yl-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
CID 91632817
3-(tetrazol-1-yl)-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
CID 91819084
6-oxo-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyridine-3-carboxamide
CID 91632818
5-(furan-2-yl)-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 91632820
N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]-2,1,3-benzothiadiazole-5-carboxamide
CID 121028811
N-[2-(2-fluorophenyl)-2-methoxypropyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 71810626
N-[(3S)-3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 99997411
N-[(6-methylpyrimidin-4-yl)methyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 122263384
N-(1H-benzimidazol-2-ylmethyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 21008804
3,4-difluoro-N-[[8-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
CID 91893046
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 9020998
N-[[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]furan-2-carboxamide
CID 7711373

Frequently Asked Questions

What is the IUPAC name of N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2,1,3-benzothiadiazole-5-carboxamide?
The IUPAC name of N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2,1,3-benzothiadiazole-5-carboxamide (CID 91632835) is N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2,1,3-benzothiadiazole-5-carboxamide.
What is the SMILES notation for N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2,1,3-benzothiadiazole-5-carboxamide?
The canonical SMILES for N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2,1,3-benzothiadiazole-5-carboxamide is O=C(NCc1nnc2c(C(F)(F)F)cccn12)c1ccc2nsnc2c1.
What is the InChIKey of N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2,1,3-benzothiadiazole-5-carboxamide?
The InChIKey is CFELQLOXCSZMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N6OS/c16-15(17,18)9-2-1-5-24-12(20-21-13(9)24)7-19-14(25)8-3-4-10-11(6-8)23-26-22-10/h1-6H,7H2,(H,19,25).
What are the key properties of N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2,1,3-benzothiadiazole-5-carboxamide?
N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2,1,3-benzothiadiazole-5-carboxamide has a molecular weight of 378.34 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2,1,3-benzothiadiazole-5-carboxamide is sourced from PubChem (CID 91632835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).