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

C19H20FN3O2S — CID 50846711

IUPAC2-(1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-(4-fluorophenyl)acetamide
SMILESCCCCN1C(=O)C(CC(=O)Nc2ccc(F)cc2)Sc2ncccc21
InChIInChI=1S/C19H20FN3O2S/c1-2-3-11-23-15-5-4-10-21-18(15)26-16(19(23)25)12-17(24)22-14-8-6-13(20)7-9-14/h4-10,16H,2-3,11-12H2,1H3,(H,22,24)
InChIKeyOKUFRTBQMHOSPC-UHFFFAOYSA-N
MW373.45 g/mol
LogP3.86
Rot. Bonds6

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

2-(1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-(4-fluorophenyl)acetamide (PubChem CID 50846711) has the molecular formula C19H20FN3O2S and a molecular weight of 373.45 g/mol. Its IUPAC name is 2-(1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-(4-fluorophenyl)acetamide
PubChem CID50846711
Molecular FormulaC19H20FN3O2S
Molecular Weight373.45 g/mol
Exact Mass373.13
IUPAC Name2-(1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-(4-fluorophenyl)acetamide
SMILESCCCCN1C(=O)C(CC(=O)Nc2ccc(F)cc2)Sc2ncccc21
InChIInChI=1S/C19H20FN3O2S/c1-2-3-11-23-15-5-4-10-21-18(15)26-16(19(23)25)12-17(24)22-14-8-6-13(20)7-9-14/h4-10,16H,2-3,11-12H2,1H3,(H,22,24)
InChIKeyOKUFRTBQMHOSPC-UHFFFAOYSA-N
XLogP3.86
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R)-1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-(3-methylphenyl)acetamide
CID 95096996
2-[(3R)-1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-propylacetamide
CID 95096981
2-[(3S)-1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-(2-methylbutan-2-yl)acetamide
CID 95096989
2-(1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-(2-methylpropyl)acetamide
CID 53148624
N-[(2R)-butan-2-yl]-2-[(3S)-2-oxo-1-propylpyrido[2,3-b][1,4]thiazin-3-yl]acetamide
CID 95096902
N-[2-(dimethylamino)ethyl]-2-[(3S)-2-oxo-1-propylpyrido[2,3-b][1,4]thiazin-3-yl]acetamide
CID 95096913
N,N-diethyl-2-[(3R)-2-oxo-1-propylpyrido[2,3-b][1,4]thiazin-3-yl]acetamide
CID 95096934
2-[(3S)-1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-propylacetamide
CID 95096732
3-[2-(azepan-1-yl)-2-oxoethyl]-1-propylpyrido[2,3-b][1,4]thiazin-2-one
CID 53148581
2-[(3R)-1-ethyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-(3-methoxypropyl)acetamide
CID 95096849
2-[(5R)-2-(2,6-dimethylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide
CID 7974391
2-(1-ethyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-(1-phenylethyl)acetamide
CID 53148542

Frequently Asked Questions

What is the IUPAC name of 2-(1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-(4-fluorophenyl)acetamide (CID 50846711) is 2-(1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-(4-fluorophenyl)acetamide is CCCCN1C(=O)C(CC(=O)Nc2ccc(F)cc2)Sc2ncccc21.
What is the InChIKey of 2-(1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-(4-fluorophenyl)acetamide?
The InChIKey is OKUFRTBQMHOSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2S/c1-2-3-11-23-15-5-4-10-21-18(15)26-16(19(23)25)12-17(24)22-14-8-6-13(20)7-9-14/h4-10,16H,2-3,11-12H2,1H3,(H,22,24).
What are the key properties of 2-(1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-(4-fluorophenyl)acetamide?
2-(1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-(4-fluorophenyl)acetamide has a molecular weight of 373.45 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 50846711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).