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

C15H20N4O2S — CID 20890032

IUPAC2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide
SMILESO=C(CN1C(=O)CSc2ncccc21)NCCN1CCCC1
InChIInChI=1S/C15H20N4O2S/c20-13(16-6-9-18-7-1-2-8-18)10-19-12-4-3-5-17-15(12)22-11-14(19)21/h3-5H,1-2,6-11H2,(H,16,20)
InChIKeyMNLXKPWPMHXMJO-UHFFFAOYSA-N
MW320.42 g/mol
LogP0.73
Rot. Bonds5

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

2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide (PubChem CID 20890032) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide
PubChem CID20890032
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide
SMILESO=C(CN1C(=O)CSc2ncccc21)NCCN1CCCC1
InChIInChI=1S/C15H20N4O2S/c20-13(16-6-9-18-7-1-2-8-18)10-19-12-4-3-5-17-15(12)22-11-14(19)21/h3-5H,1-2,6-11H2,(H,16,20)
InChIKeyMNLXKPWPMHXMJO-UHFFFAOYSA-N
XLogP0.73
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1H-pyrido(2,3-b)(1,4)thiazin-2(3H)-one
CID 29110
ethyl 4-{[4-(2-oxo-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazin-1-yl)butanoyl]amino}piperidine-1-carboxylate
CID 3245176
N-[4-(diethylamino)-2-methylphenyl]-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide
CID 5307179
N-(3-Methoxypropyl)-2-{2-oxo-1H,2H,3H-pyrido[2,3-B][1,4]thiazin-1-YL}acetamide
CID 5307337
N-(2-methoxyethyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide
CID 5307559
2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(1-phenylbutan-2-yl)acetamide
CID 5308257
N-methyl-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide
CID 5308434
N-(3-Chlorophenyl)-2-{2-oxo-1H,2H,3H-pyrido[2,3-B][1,4]thiazin-1-YL}acetamide
CID 20889981
4-(2-Pyridin-2-ylsulfanylacetyl)-1,3-dihydroquinoxalin-2-one
CID 8813148
1-(2-Pyridin-2-ylsulfanylacetyl)imidazolidin-2-one
CID 16299129
N-(2-fluorophenyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide
CID 20889991
2H-Pyrido(4,3-b)(1,4)thiazin-3(4H)-one
CID 373078

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide?
The IUPAC name of 2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide (CID 20890032) is 2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide.
What is the SMILES notation for 2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide?
The canonical SMILES for 2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide is O=C(CN1C(=O)CSc2ncccc21)NCCN1CCCC1.
What is the InChIKey of 2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide?
The InChIKey is MNLXKPWPMHXMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c20-13(16-6-9-18-7-1-2-8-18)10-19-12-4-3-5-17-15(12)22-11-14(19)21/h3-5H,1-2,6-11H2,(H,16,20).
What are the key properties of 2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide?
2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide has a molecular weight of 320.42 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide is sourced from PubChem (CID 20890032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).