methyl 2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetate

C10H10N2O3S — CID 3237103

IUPACmethyl 2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetate
SMILESCOC(=O)CN1C(=O)CSc2ncccc21
InChIInChI=1S/C10H10N2O3S/c1-15-9(14)5-12-7-3-2-4-11-10(7)16-6-8(12)13/h2-4H,5-6H2,1H3
InChIKeyTWOFUCIHBHRFKJ-UHFFFAOYSA-N
MW238.27 g/mol
LogP0.69
Rot. Bonds2

About methyl 2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetate

methyl 2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetate (PubChem CID 3237103) has the molecular formula C10H10N2O3S and a molecular weight of 238.27 g/mol. Its IUPAC name is methyl 2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetate
PubChem CID3237103
Molecular FormulaC10H10N2O3S
Molecular Weight238.27 g/mol
Exact Mass238.04
IUPAC Namemethyl 2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetate
SMILESCOC(=O)CN1C(=O)CSc2ncccc21
InChIInChI=1S/C10H10N2O3S/c1-15-9(14)5-12-7-3-2-4-11-10(7)16-6-8(12)13/h2-4H,5-6H2,1H3
InChIKeyTWOFUCIHBHRFKJ-UHFFFAOYSA-N
XLogP0.69
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-Morpholinyl)-2-oxoethyl 2-pyridinyl sulfide
CID 592408
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-(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
Methyl 2-{[2-(2-pyridylthio)acetyl]amino}acetate
CID 2729282
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
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

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetate?
The IUPAC name of methyl 2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetate (CID 3237103) is methyl 2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetate.
What is the SMILES notation for methyl 2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetate?
The canonical SMILES for methyl 2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetate is COC(=O)CN1C(=O)CSc2ncccc21.
What is the InChIKey of methyl 2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetate?
The InChIKey is TWOFUCIHBHRFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3S/c1-15-9(14)5-12-7-3-2-4-11-10(7)16-6-8(12)13/h2-4H,5-6H2,1H3.
What are the key properties of methyl 2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetate?
methyl 2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetate has a molecular weight of 238.27 g/mol, XLogP of 0.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetate is sourced from PubChem (CID 3237103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).