2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)propanamide

C20H19N5OS — CID 24954422

IUPAC2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)propanamide
SMILESCC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1ccc2nncn2c1
InChIInChI=1S/C20H19N5OS/c1-20(2,18(26)23-19-21-10-11-27-19)17(14-6-4-3-5-7-14)15-8-9-16-24-22-13-25(16)12-15/h3-13,17H,1-2H3,(H,21,23,26)
InChIKeyTYSMLUZJDMRTJW-UHFFFAOYSA-N
MW377.47 g/mol
LogP3.98
Rot. Bonds5

About 2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)propanamide

2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)propanamide (PubChem CID 24954422) has the molecular formula C20H19N5OS and a molecular weight of 377.47 g/mol. Its IUPAC name is 2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)propanamide
PubChem CID24954422
Molecular FormulaC20H19N5OS
Molecular Weight377.47 g/mol
Exact Mass377.13
IUPAC Name2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)propanamide
SMILESCC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1ccc2nncn2c1
InChIInChI=1S/C20H19N5OS/c1-20(2,18(26)23-19-21-10-11-27-19)17(14-6-4-3-5-7-14)15-8-9-16-24-22-13-25(16)12-15/h3-13,17H,1-2H3,(H,21,23,26)
InChIKeyTYSMLUZJDMRTJW-UHFFFAOYSA-N
XLogP3.98
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)propanamide?
The IUPAC name of 2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)propanamide (CID 24954422) is 2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)propanamide.
What is the SMILES notation for 2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)propanamide?
The canonical SMILES for 2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)propanamide is CC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1ccc2nncn2c1.
What is the InChIKey of 2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)propanamide?
The InChIKey is TYSMLUZJDMRTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5OS/c1-20(2,18(26)23-19-21-10-11-27-19)17(14-6-4-3-5-7-14)15-8-9-16-24-22-13-25(16)12-15/h3-13,17H,1-2H3,(H,21,23,26).
What are the key properties of 2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)propanamide?
2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)propanamide has a molecular weight of 377.47 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)propanamide is sourced from PubChem (CID 24954422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).