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

C19H20N2O2S — CID 99835008

IUPAC2,3-dihydropyrido[4,3-b][1,4]thiazin-4-yl-[(2R,3R)-2-phenyloxan-3-yl]methanone
SMILESO=C([C@@H]1CCCO[C@H]1c1ccccc1)N1CCSc2ccncc21
InChIInChI=1S/C19H20N2O2S/c22-19(21-10-12-24-17-8-9-20-13-16(17)21)15-7-4-11-23-18(15)14-5-2-1-3-6-14/h1-3,5-6,8-9,13,15,18H,4,7,10-12H2/t15-,18+/m1/s1
InChIKeySEDHCDLSEYRQIN-QAPCUYQASA-N
MW340.45 g/mol
LogP3.69
Rot. Bonds2

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

2,3-dihydropyrido[4,3-b][1,4]thiazin-4-yl-[(2R,3R)-2-phenyloxan-3-yl]methanone (PubChem CID 99835008) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 2,3-dihydropyrido[4,3-b][1,4]thiazin-4-yl-[(2R,3R)-2-phenyloxan-3-yl]methanone.

Molecular Properties

Compound Name2,3-dihydropyrido[4,3-b][1,4]thiazin-4-yl-[(2R,3R)-2-phenyloxan-3-yl]methanone
PubChem CID99835008
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name2,3-dihydropyrido[4,3-b][1,4]thiazin-4-yl-[(2R,3R)-2-phenyloxan-3-yl]methanone
SMILESO=C([C@@H]1CCCO[C@H]1c1ccccc1)N1CCSc2ccncc21
InChIInChI=1S/C19H20N2O2S/c22-19(21-10-12-24-17-8-9-20-13-16(17)21)15-7-4-11-23-18(15)14-5-2-1-3-6-14/h1-3,5-6,8-9,13,15,18H,4,7,10-12H2/t15-,18+/m1/s1
InChIKeySEDHCDLSEYRQIN-QAPCUYQASA-N
XLogP3.69
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydropyrido[4,3-b][1,4]thiazin-4-yl-[(2R,3R)-2-phenyloxan-3-yl]methanone?
The IUPAC name of 2,3-dihydropyrido[4,3-b][1,4]thiazin-4-yl-[(2R,3R)-2-phenyloxan-3-yl]methanone (CID 99835008) is 2,3-dihydropyrido[4,3-b][1,4]thiazin-4-yl-[(2R,3R)-2-phenyloxan-3-yl]methanone.
What is the SMILES notation for 2,3-dihydropyrido[4,3-b][1,4]thiazin-4-yl-[(2R,3R)-2-phenyloxan-3-yl]methanone?
The canonical SMILES for 2,3-dihydropyrido[4,3-b][1,4]thiazin-4-yl-[(2R,3R)-2-phenyloxan-3-yl]methanone is O=C([C@@H]1CCCO[C@H]1c1ccccc1)N1CCSc2ccncc21.
What is the InChIKey of 2,3-dihydropyrido[4,3-b][1,4]thiazin-4-yl-[(2R,3R)-2-phenyloxan-3-yl]methanone?
The InChIKey is SEDHCDLSEYRQIN-QAPCUYQASA-N. The full InChI is InChI=1S/C19H20N2O2S/c22-19(21-10-12-24-17-8-9-20-13-16(17)21)15-7-4-11-23-18(15)14-5-2-1-3-6-14/h1-3,5-6,8-9,13,15,18H,4,7,10-12H2/t15-,18+/m1/s1.
What are the key properties of 2,3-dihydropyrido[4,3-b][1,4]thiazin-4-yl-[(2R,3R)-2-phenyloxan-3-yl]methanone?
2,3-dihydropyrido[4,3-b][1,4]thiazin-4-yl-[(2R,3R)-2-phenyloxan-3-yl]methanone has a molecular weight of 340.45 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydropyrido[4,3-b][1,4]thiazin-4-yl-[(2R,3R)-2-phenyloxan-3-yl]methanone is sourced from PubChem (CID 99835008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).