2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(1-phenylethyl)acetamide

C19H21N3O2S — CID 20886069

IUPAC2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(1-phenylethyl)acetamide
SMILESCc1cc(C)c2c(n1)SCC(=O)N2CC(=O)NC(C)c1ccccc1
InChIInChI=1S/C19H21N3O2S/c1-12-9-13(2)20-19-18(12)22(17(24)11-25-19)10-16(23)21-14(3)15-7-5-4-6-8-15/h4-9,14H,10-11H2,1-3H3,(H,21,23)
InChIKeyITQHNWZLVRQBDV-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.01
Rot. Bonds4

About 2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(1-phenylethyl)acetamide

2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(1-phenylethyl)acetamide (PubChem CID 20886069) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(1-phenylethyl)acetamide
PubChem CID20886069
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(1-phenylethyl)acetamide
SMILESCc1cc(C)c2c(n1)SCC(=O)N2CC(=O)NC(C)c1ccccc1
InChIInChI=1S/C19H21N3O2S/c1-12-9-13(2)20-19-18(12)22(17(24)11-25-19)10-16(23)21-14(3)15-7-5-4-6-8-15/h4-9,14H,10-11H2,1-3H3,(H,21,23)
InChIKeyITQHNWZLVRQBDV-UHFFFAOYSA-N
XLogP3.01
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(1-phenylethyl)acetamide with MolForge

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Related Compounds

2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(1-phenylbutan-2-yl)acetamide
CID 20890160
ethyl (2Z)-2-[4-oxo-3-[2-oxo-2-(1-phenylethylamino)ethyl]-1,3-thiazolidin-2-ylidene]acetate
CID 6296120
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 30997351
6,8-dimethyl-N-[4-(1-phenylethylcarbamoyl)phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 20921174
N-[(1R)-1-phenylethyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 7975986
2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 8014784
2-(6-chloro-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 53360253
2-(3-methyl-2-oxoquinolin-1-yl)-N-(1-phenylethyl)acetamide
CID 110680331
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(1-phenylethyl)acetamide
CID 108794915
6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-[(1S)-1-phenylethyl]hexanamide
CID 9315278
4-(3-oxo-1,4-benzothiazin-4-yl)-N-[(1R)-1-phenylethyl]butanamide
CID 7416279
2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 9032875

Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(1-phenylethyl)acetamide (CID 20886069) is 2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(1-phenylethyl)acetamide is Cc1cc(C)c2c(n1)SCC(=O)N2CC(=O)NC(C)c1ccccc1.
What is the InChIKey of 2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(1-phenylethyl)acetamide?
The InChIKey is ITQHNWZLVRQBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-12-9-13(2)20-19-18(12)22(17(24)11-25-19)10-16(23)21-14(3)15-7-5-4-6-8-15/h4-9,14H,10-11H2,1-3H3,(H,21,23).
What are the key properties of 2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(1-phenylethyl)acetamide?
2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(1-phenylethyl)acetamide has a molecular weight of 355.46 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 20886069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).