8-amino-N-methyl-N-(2-phenylethyl)-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide

C19H18N6OS — CID 20620192

IUPAC8-amino-N-methyl-N-(2-phenylethyl)-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
SMILESCN(CCc1ccccc1)C(=O)c1cc(N)c2nc(-c3nccs3)nn2c1
InChIInChI=1S/C19H18N6OS/c1-24(9-7-13-5-3-2-4-6-13)19(26)14-11-15(20)17-22-16(23-25(17)12-14)18-21-8-10-27-18/h2-6,8,10-12H,7,9,20H2,1H3
InChIKeyOJDHRLGADNSOSW-UHFFFAOYSA-N
MW378.46 g/mol
LogP2.75
Rot. Bonds5

About 8-amino-N-methyl-N-(2-phenylethyl)-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide

8-amino-N-methyl-N-(2-phenylethyl)-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide (PubChem CID 20620192) has the molecular formula C19H18N6OS and a molecular weight of 378.46 g/mol. Its IUPAC name is 8-amino-N-methyl-N-(2-phenylethyl)-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name8-amino-N-methyl-N-(2-phenylethyl)-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
PubChem CID20620192
Molecular FormulaC19H18N6OS
Molecular Weight378.46 g/mol
Exact Mass378.13
IUPAC Name8-amino-N-methyl-N-(2-phenylethyl)-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
SMILESCN(CCc1ccccc1)C(=O)c1cc(N)c2nc(-c3nccs3)nn2c1
InChIInChI=1S/C19H18N6OS/c1-24(9-7-13-5-3-2-4-6-13)19(26)14-11-15(20)17-22-16(23-25(17)12-14)18-21-8-10-27-18/h2-6,8,10-12H,7,9,20H2,1H3
InChIKeyOJDHRLGADNSOSW-UHFFFAOYSA-N
XLogP2.75
TPSA89.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-amino-N-methyl-N-(2-phenylethyl)-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The IUPAC name of 8-amino-N-methyl-N-(2-phenylethyl)-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide (CID 20620192) is 8-amino-N-methyl-N-(2-phenylethyl)-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide.
What is the SMILES notation for 8-amino-N-methyl-N-(2-phenylethyl)-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The canonical SMILES for 8-amino-N-methyl-N-(2-phenylethyl)-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide is CN(CCc1ccccc1)C(=O)c1cc(N)c2nc(-c3nccs3)nn2c1.
What is the InChIKey of 8-amino-N-methyl-N-(2-phenylethyl)-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The InChIKey is OJDHRLGADNSOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6OS/c1-24(9-7-13-5-3-2-4-6-13)19(26)14-11-15(20)17-22-16(23-25(17)12-14)18-21-8-10-27-18/h2-6,8,10-12H,7,9,20H2,1H3.
What are the key properties of 8-amino-N-methyl-N-(2-phenylethyl)-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
8-amino-N-methyl-N-(2-phenylethyl)-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide has a molecular weight of 378.46 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-N-methyl-N-(2-phenylethyl)-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide is sourced from PubChem (CID 20620192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).