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

C16H23N3O2S — CID 95096902

IUPACN-[(2R)-butan-2-yl]-2-[(3S)-2-oxo-1-propylpyrido[2,3-b][1,4]thiazin-3-yl]acetamide
SMILESCCCN1C(=O)[C@H](CC(=O)N[C@H](C)CC)Sc2ncccc21
InChIInChI=1S/C16H23N3O2S/c1-4-9-19-12-7-6-8-17-15(12)22-13(16(19)21)10-14(20)18-11(3)5-2/h6-8,11,13H,4-5,9-10H2,1-3H3,(H,18,20)/t11-,13+/m1/s1
InChIKeyVRQXNIWIURLDNB-YPMHNXCESA-N
MW321.45 g/mol
LogP2.60
Rot. Bonds6

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

N-[(2R)-butan-2-yl]-2-[(3S)-2-oxo-1-propylpyrido[2,3-b][1,4]thiazin-3-yl]acetamide (PubChem CID 95096902) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-2-[(3S)-2-oxo-1-propylpyrido[2,3-b][1,4]thiazin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-2-[(3S)-2-oxo-1-propylpyrido[2,3-b][1,4]thiazin-3-yl]acetamide
PubChem CID95096902
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC NameN-[(2R)-butan-2-yl]-2-[(3S)-2-oxo-1-propylpyrido[2,3-b][1,4]thiazin-3-yl]acetamide
SMILESCCCN1C(=O)[C@H](CC(=O)N[C@H](C)CC)Sc2ncccc21
InChIInChI=1S/C16H23N3O2S/c1-4-9-19-12-7-6-8-17-15(12)22-13(16(19)21)10-14(20)18-11(3)5-2/h6-8,11,13H,4-5,9-10H2,1-3H3,(H,18,20)/t11-,13+/m1/s1
InChIKeyVRQXNIWIURLDNB-YPMHNXCESA-N
XLogP2.60
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide
CID 53148501
N-[2-(dimethylamino)ethyl]-2-[(3S)-2-oxo-1-propylpyrido[2,3-b][1,4]thiazin-3-yl]acetamide
CID 95096913
2-(1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-(2-methylpropyl)acetamide
CID 53148624
2-(1-ethyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-(1-phenylethyl)acetamide
CID 53148542
2-[(3R)-1-ethyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 95096841
2-[(3R)-1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-propylacetamide
CID 95096981
3-[2-(azepan-1-yl)-2-oxoethyl]-1-propylpyrido[2,3-b][1,4]thiazin-2-one
CID 53148581
2-[(3S)-1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-(2-methylbutan-2-yl)acetamide
CID 95096989
N-(3-methylbutyl)-2-[(3S)-1-(2-methylpropyl)-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]acetamide
CID 95096961
2-[(3S)-1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-propylacetamide
CID 95096732
2-[(3R)-1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-(3-methylphenyl)acetamide
CID 95096996
1-ethyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrido[2,3-b][1,4]thiazin-2-one
CID 53148534

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-2-[(3S)-2-oxo-1-propylpyrido[2,3-b][1,4]thiazin-3-yl]acetamide?
The IUPAC name of N-[(2R)-butan-2-yl]-2-[(3S)-2-oxo-1-propylpyrido[2,3-b][1,4]thiazin-3-yl]acetamide (CID 95096902) is N-[(2R)-butan-2-yl]-2-[(3S)-2-oxo-1-propylpyrido[2,3-b][1,4]thiazin-3-yl]acetamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-2-[(3S)-2-oxo-1-propylpyrido[2,3-b][1,4]thiazin-3-yl]acetamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-2-[(3S)-2-oxo-1-propylpyrido[2,3-b][1,4]thiazin-3-yl]acetamide is CCCN1C(=O)[C@H](CC(=O)N[C@H](C)CC)Sc2ncccc21.
What is the InChIKey of N-[(2R)-butan-2-yl]-2-[(3S)-2-oxo-1-propylpyrido[2,3-b][1,4]thiazin-3-yl]acetamide?
The InChIKey is VRQXNIWIURLDNB-YPMHNXCESA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-4-9-19-12-7-6-8-17-15(12)22-13(16(19)21)10-14(20)18-11(3)5-2/h6-8,11,13H,4-5,9-10H2,1-3H3,(H,18,20)/t11-,13+/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-2-[(3S)-2-oxo-1-propylpyrido[2,3-b][1,4]thiazin-3-yl]acetamide?
N-[(2R)-butan-2-yl]-2-[(3S)-2-oxo-1-propylpyrido[2,3-b][1,4]thiazin-3-yl]acetamide has a molecular weight of 321.45 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-2-[(3S)-2-oxo-1-propylpyrido[2,3-b][1,4]thiazin-3-yl]acetamide is sourced from PubChem (CID 95096902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).