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

C19H21N3O2S — CID 5308257

IUPAC2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(1-phenylbutan-2-yl)acetamide
SMILESCCC(Cc1ccccc1)NC(=O)CN1C(=O)CSc2ncccc21
InChIInChI=1S/C19H21N3O2S/c1-2-15(11-14-7-4-3-5-8-14)21-17(23)12-22-16-9-6-10-20-19(16)25-13-18(22)24/h3-10,15H,2,11-13H2,1H3,(H,21,23)
InChIKeyXALIVGVMFVGUBJ-UHFFFAOYSA-N
MW355.46 g/mol
LogP2.66
Rot. Bonds6

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

2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(1-phenylbutan-2-yl)acetamide (PubChem CID 5308257) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(1-phenylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(1-phenylbutan-2-yl)acetamide
PubChem CID5308257
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(1-phenylbutan-2-yl)acetamide
SMILESCCC(Cc1ccccc1)NC(=O)CN1C(=O)CSc2ncccc21
InChIInChI=1S/C19H21N3O2S/c1-2-15(11-14-7-4-3-5-8-14)21-17(23)12-22-16-9-6-10-20-19(16)25-13-18(22)24/h3-10,15H,2,11-13H2,1H3,(H,21,23)
InChIKeyXALIVGVMFVGUBJ-UHFFFAOYSA-N
XLogP2.66
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(1-phenylbutan-2-yl)acetamide?
The IUPAC name of 2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(1-phenylbutan-2-yl)acetamide (CID 5308257) is 2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(1-phenylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(1-phenylbutan-2-yl)acetamide?
The canonical SMILES for 2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(1-phenylbutan-2-yl)acetamide is CCC(Cc1ccccc1)NC(=O)CN1C(=O)CSc2ncccc21.
What is the InChIKey of 2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(1-phenylbutan-2-yl)acetamide?
The InChIKey is XALIVGVMFVGUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-2-15(11-14-7-4-3-5-8-14)21-17(23)12-22-16-9-6-10-20-19(16)25-13-18(22)24/h3-10,15H,2,11-13H2,1H3,(H,21,23).
What are the key properties of 2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(1-phenylbutan-2-yl)acetamide?
2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(1-phenylbutan-2-yl)acetamide has a molecular weight of 355.46 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(1-phenylbutan-2-yl)acetamide is sourced from PubChem (CID 5308257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).