N,N-diethyl-2-[(3R)-2-oxo-1-propylpyrido[2,3-b][1,4]thiazin-3-yl]acetamide

C16H23N3O2S — CID 95096934

IUPACN,N-diethyl-2-[(3R)-2-oxo-1-propylpyrido[2,3-b][1,4]thiazin-3-yl]acetamide
SMILESCCCN1C(=O)[C@@H](CC(=O)N(CC)CC)Sc2ncccc21
InChIInChI=1S/C16H23N3O2S/c1-4-10-19-12-8-7-9-17-15(12)22-13(16(19)21)11-14(20)18(5-2)6-3/h7-9,13H,4-6,10-11H2,1-3H3/t13-/m1/s1
InChIKeyQUHAFJMDGKWYGM-CYBMUJFWSA-N
MW321.45 g/mol
LogP2.56
Rot. Bonds6

About N,N-diethyl-2-[(3R)-2-oxo-1-propylpyrido[2,3-b][1,4]thiazin-3-yl]acetamide

N,N-diethyl-2-[(3R)-2-oxo-1-propylpyrido[2,3-b][1,4]thiazin-3-yl]acetamide (PubChem CID 95096934) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is N,N-diethyl-2-[(3R)-2-oxo-1-propylpyrido[2,3-b][1,4]thiazin-3-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(3R)-2-oxo-1-propylpyrido[2,3-b][1,4]thiazin-3-yl]acetamide
PubChem CID95096934
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC NameN,N-diethyl-2-[(3R)-2-oxo-1-propylpyrido[2,3-b][1,4]thiazin-3-yl]acetamide
SMILESCCCN1C(=O)[C@@H](CC(=O)N(CC)CC)Sc2ncccc21
InChIInChI=1S/C16H23N3O2S/c1-4-10-19-12-8-7-9-17-15(12)22-13(16(19)21)11-14(20)18(5-2)6-3/h7-9,13H,4-6,10-11H2,1-3H3/t13-/m1/s1
InChIKeyQUHAFJMDGKWYGM-CYBMUJFWSA-N
XLogP2.56
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-2-(1-ethyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide
CID 53148564
3-[2-(azepan-1-yl)-2-oxoethyl]-1-propylpyrido[2,3-b][1,4]thiazin-2-one
CID 53148581
N-[2-(dimethylamino)ethyl]-2-[(3S)-2-oxo-1-propylpyrido[2,3-b][1,4]thiazin-3-yl]acetamide
CID 95096913
N-[(2R)-butan-2-yl]-2-[(3S)-2-oxo-1-propylpyrido[2,3-b][1,4]thiazin-3-yl]acetamide
CID 95096902
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
1-ethyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrido[2,3-b][1,4]thiazin-2-one
CID 53148534
2-(1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-(4-fluorophenyl)acetamide
CID 50846711
(3S)-1-ethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-b][1,4]thiazin-2-one
CID 95096874
2-[(3R)-1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-(3-methylphenyl)acetamide
CID 95096996
2-[(3S)-1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-propylacetamide
CID 95096732

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(3R)-2-oxo-1-propylpyrido[2,3-b][1,4]thiazin-3-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[(3R)-2-oxo-1-propylpyrido[2,3-b][1,4]thiazin-3-yl]acetamide (CID 95096934) is N,N-diethyl-2-[(3R)-2-oxo-1-propylpyrido[2,3-b][1,4]thiazin-3-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[(3R)-2-oxo-1-propylpyrido[2,3-b][1,4]thiazin-3-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[(3R)-2-oxo-1-propylpyrido[2,3-b][1,4]thiazin-3-yl]acetamide is CCCN1C(=O)[C@@H](CC(=O)N(CC)CC)Sc2ncccc21.
What is the InChIKey of N,N-diethyl-2-[(3R)-2-oxo-1-propylpyrido[2,3-b][1,4]thiazin-3-yl]acetamide?
The InChIKey is QUHAFJMDGKWYGM-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-4-10-19-12-8-7-9-17-15(12)22-13(16(19)21)11-14(20)18(5-2)6-3/h7-9,13H,4-6,10-11H2,1-3H3/t13-/m1/s1.
What are the key properties of N,N-diethyl-2-[(3R)-2-oxo-1-propylpyrido[2,3-b][1,4]thiazin-3-yl]acetamide?
N,N-diethyl-2-[(3R)-2-oxo-1-propylpyrido[2,3-b][1,4]thiazin-3-yl]acetamide has a molecular weight of 321.45 g/mol, XLogP of 2.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(3R)-2-oxo-1-propylpyrido[2,3-b][1,4]thiazin-3-yl]acetamide is sourced from PubChem (CID 95096934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).