2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl-(2-ethyloxan-3-yl)methanone

C15H20N2O2S — CID 167888878

IUPAC2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl-(2-ethyloxan-3-yl)methanone
SMILESCCC1OCCCC1C(=O)N1CCSc2ncccc21
InChIInChI=1S/C15H20N2O2S/c1-2-13-11(5-4-9-19-13)15(18)17-8-10-20-14-12(17)6-3-7-16-14/h3,6-7,11,13H,2,4-5,8-10H2,1H3
InChIKeyRWRZRDUVZSCXAZ-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.73
Rot. Bonds2

About 2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl-(2-ethyloxan-3-yl)methanone

2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl-(2-ethyloxan-3-yl)methanone (PubChem CID 167888878) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl-(2-ethyloxan-3-yl)methanone.

Molecular Properties

Compound Name2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl-(2-ethyloxan-3-yl)methanone
PubChem CID167888878
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl-(2-ethyloxan-3-yl)methanone
SMILESCCC1OCCCC1C(=O)N1CCSc2ncccc21
InChIInChI=1S/C15H20N2O2S/c1-2-13-11(5-4-9-19-13)15(18)17-8-10-20-14-12(17)6-3-7-16-14/h3,6-7,11,13H,2,4-5,8-10H2,1H3
InChIKeyRWRZRDUVZSCXAZ-UHFFFAOYSA-N
XLogP2.73
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 53298959
[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)methanone
CID 95776799
[(2R,3R)-2-ethyloxan-3-yl]-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 129479295
N-(2-ethylphenyl)-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 20920690
[(2S,3S)-2-ethyloxan-3-yl]-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 129479414
N-[4-(pyrrolidine-1-carbonyl)phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 20921120
[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-(2-ethyloxan-3-yl)methanone
CID 128995894
[(2S,3S)-2-ethyloxan-3-yl]-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone
CID 129492752
N-[4-(3-ethoxypropylcarbamoyl)phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 20921101
N-[3-(butan-2-ylcarbamoyl)phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 20921133
methyl 3-(2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carbonylamino)benzoate
CID 20920703
N-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 53050024

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl-(2-ethyloxan-3-yl)methanone?
The IUPAC name of 2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl-(2-ethyloxan-3-yl)methanone (CID 167888878) is 2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl-(2-ethyloxan-3-yl)methanone.
What is the SMILES notation for 2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl-(2-ethyloxan-3-yl)methanone?
The canonical SMILES for 2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl-(2-ethyloxan-3-yl)methanone is CCC1OCCCC1C(=O)N1CCSc2ncccc21.
What is the InChIKey of 2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl-(2-ethyloxan-3-yl)methanone?
The InChIKey is RWRZRDUVZSCXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-2-13-11(5-4-9-19-13)15(18)17-8-10-20-14-12(17)6-3-7-16-14/h3,6-7,11,13H,2,4-5,8-10H2,1H3.
What are the key properties of 2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl-(2-ethyloxan-3-yl)methanone?
2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl-(2-ethyloxan-3-yl)methanone has a molecular weight of 292.40 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl-(2-ethyloxan-3-yl)methanone is sourced from PubChem (CID 167888878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).