2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)propanoic acid

C10H10N2O3S — CID 3236378

IUPAC2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)propanoic acid
SMILESCC(C(=O)O)N1C(=O)CSc2ncccc21
InChIInChI=1S/C10H10N2O3S/c1-6(10(14)15)12-7-3-2-4-11-9(7)16-5-8(12)13/h2-4,6H,5H2,1H3,(H,14,15)
InChIKeyNPISAKKORWTOBW-UHFFFAOYSA-N
MW238.27 g/mol
LogP0.99
Rot. Bonds2

About 2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)propanoic acid

2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)propanoic acid (PubChem CID 3236378) has the molecular formula C10H10N2O3S and a molecular weight of 238.27 g/mol. Its IUPAC name is 2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)propanoic acid
PubChem CID3236378
Molecular FormulaC10H10N2O3S
Molecular Weight238.27 g/mol
Exact Mass238.04
IUPAC Name2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)propanoic acid
SMILESCC(C(=O)O)N1C(=O)CSc2ncccc21
InChIInChI=1S/C10H10N2O3S/c1-6(10(14)15)12-7-3-2-4-11-9(7)16-5-8(12)13/h2-4,6H,5H2,1H3,(H,14,15)
InChIKeyNPISAKKORWTOBW-UHFFFAOYSA-N
XLogP0.99
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1H-pyrido(2,3-b)(1,4)thiazin-2(3H)-one
CID 29110
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
N-methyl-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide
CID 5308434
4-(2-Pyridin-2-ylsulfanylacetyl)-1,3-dihydroquinoxalin-2-one
CID 8813148
N-(2-fluorophenyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide
CID 20889991
1-[2-(4-Morpholinyl)-2-oxoethyl]-2-pyrido[2,3-b][1,4]thiazinone
CID 5309395
methyl (2-oxo-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazin-1-yl)acetate
CID 3237103
N-(2-morpholin-4-ylethyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide
CID 5307171
Ethyl 4-(2-{2-oxo-1H,2H,3H-pyrido[2,3-B][1,4]thiazin-1-YL}acetamido)piperidine-1-carboxylate
CID 5307713
10H-Pyrido(3,2-b)(1,4)benzothiazine-10-carbothioic acid, S-(2-(diisopropylamino)ethyl) ester,maleate
CID 6438117
1-methyl-3-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1H-pyrido[2,3-b][1,4]thiazin-2(3H)-one
CID 53014183

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)propanoic acid?
The IUPAC name of 2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)propanoic acid (CID 3236378) is 2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)propanoic acid.
What is the SMILES notation for 2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)propanoic acid?
The canonical SMILES for 2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)propanoic acid is CC(C(=O)O)N1C(=O)CSc2ncccc21.
What is the InChIKey of 2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)propanoic acid?
The InChIKey is NPISAKKORWTOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3S/c1-6(10(14)15)12-7-3-2-4-11-9(7)16-5-8(12)13/h2-4,6H,5H2,1H3,(H,14,15).
What are the key properties of 2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)propanoic acid?
2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)propanoic acid has a molecular weight of 238.27 g/mol, XLogP of 0.99, 2 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)propanoic acid is sourced from PubChem (CID 3236378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).