N-(3-methylsulfanylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide

C19H15N5OS — CID 53067517

IUPACN-(3-methylsulfanylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
SMILESCSc1cccc(NC(=O)c2ccc(-n3nnc4cccnc43)cc2)c1
InChIInChI=1S/C19H15N5OS/c1-26-16-5-2-4-14(12-16)21-19(25)13-7-9-15(10-8-13)24-18-17(22-23-24)6-3-11-20-18/h2-12H,1H3,(H,21,25)
InChIKeyTYKPLAMPFRKIIZ-UHFFFAOYSA-N
MW361.43 g/mol
LogP3.79
Rot. Bonds4

About N-(3-methylsulfanylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide

N-(3-methylsulfanylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide (PubChem CID 53067517) has the molecular formula C19H15N5OS and a molecular weight of 361.43 g/mol. Its IUPAC name is N-(3-methylsulfanylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide.

Molecular Properties

Compound NameN-(3-methylsulfanylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
PubChem CID53067517
Molecular FormulaC19H15N5OS
Molecular Weight361.43 g/mol
Exact Mass361.10
IUPAC NameN-(3-methylsulfanylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
SMILESCSc1cccc(NC(=O)c2ccc(-n3nnc4cccnc43)cc2)c1
InChIInChI=1S/C19H15N5OS/c1-26-16-5-2-4-14(12-16)21-19(25)13-7-9-15(10-8-13)24-18-17(22-23-24)6-3-11-20-18/h2-12H,1H3,(H,21,25)
InChIKeyTYKPLAMPFRKIIZ-UHFFFAOYSA-N
XLogP3.79
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethoxyphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53067502
N-(2-fluorophenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53006193
N-(3-acetylphenyl)-2-chloro-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53067570
4-methylsulfanyl-N-(3-methylsulfanylphenyl)benzamide
CID 9403388
N-(3-methylsulfanylphenyl)-4-pyrrol-1-ylbenzamide
CID 24536258
3-methyl-N-(4-methylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53067645
4-(methylamino)-N-(3-methylsulfanylphenyl)benzamide
CID 62185090
4-(1,3-dioxoisoindol-2-yl)-N-(3-methylsulfanylphenyl)benzamide
CID 9402903
4-[3-(4-chlorophenyl)sulfanyl-6-oxopyridazin-1-yl]-N-(3-methylsulfanylphenyl)benzamide
CID 46323762
N-(3-methylsulfanylphenyl)-4-(trifluoromethyl)benzamide
CID 8003067
6-bromo-N-(3-methylsulfanylphenyl)pyridine-3-carboxamide
CID 66462280
4-cyano-N-(3-methylsulfanylphenyl)benzamide
CID 2665655

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide?
The IUPAC name of N-(3-methylsulfanylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide (CID 53067517) is N-(3-methylsulfanylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide.
What is the SMILES notation for N-(3-methylsulfanylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide?
The canonical SMILES for N-(3-methylsulfanylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide is CSc1cccc(NC(=O)c2ccc(-n3nnc4cccnc43)cc2)c1.
What is the InChIKey of N-(3-methylsulfanylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide?
The InChIKey is TYKPLAMPFRKIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5OS/c1-26-16-5-2-4-14(12-16)21-19(25)13-7-9-15(10-8-13)24-18-17(22-23-24)6-3-11-20-18/h2-12H,1H3,(H,21,25).
What are the key properties of N-(3-methylsulfanylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide?
N-(3-methylsulfanylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide has a molecular weight of 361.43 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide is sourced from PubChem (CID 53067517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).