2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide

C18H16F3N3O2S — CID 53148512

IUPAC2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCN1C(=O)C(CC(=O)NCc2ccccc2C(F)(F)F)Sc2ncccc21
InChIInChI=1S/C18H16F3N3O2S/c1-24-13-7-4-8-22-16(13)27-14(17(24)26)9-15(25)23-10-11-5-2-3-6-12(11)18(19,20)21/h2-8,14H,9-10H2,1H3,(H,23,25)
InChIKeyFFGQZQAYZPAVLI-UHFFFAOYSA-N
MW395.41 g/mol
LogP3.24
Rot. Bonds4

About 2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide

2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 53148512) has the molecular formula C18H16F3N3O2S and a molecular weight of 395.41 g/mol. Its IUPAC name is 2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID53148512
Molecular FormulaC18H16F3N3O2S
Molecular Weight395.41 g/mol
Exact Mass395.09
IUPAC Name2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCN1C(=O)C(CC(=O)NCc2ccccc2C(F)(F)F)Sc2ncccc21
InChIInChI=1S/C18H16F3N3O2S/c1-24-13-7-4-8-22-16(13)27-14(17(24)26)9-15(25)23-10-11-5-2-3-6-12(11)18(19,20)21/h2-8,14H,9-10H2,1H3,(H,23,25)
InChIKeyFFGQZQAYZPAVLI-UHFFFAOYSA-N
XLogP3.24
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide (CID 53148512) is 2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide is CN1C(=O)C(CC(=O)NCc2ccccc2C(F)(F)F)Sc2ncccc21.
What is the InChIKey of 2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is FFGQZQAYZPAVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O2S/c1-24-13-7-4-8-22-16(13)27-14(17(24)26)9-15(25)23-10-11-5-2-3-6-12(11)18(19,20)21/h2-8,14H,9-10H2,1H3,(H,23,25).
What are the key properties of 2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide?
2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 395.41 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 53148512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).