6-[[[(3R,4S)-3-fluoropiperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one

C13H17FN4OS — CID 68565555

IUPAC6-[[[(3R,4S)-3-fluoropiperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
SMILESO=C1CSc2ccc(CN[C@H]3CCNC[C@H]3F)nc2N1
InChIInChI=1S/C13H17FN4OS/c14-9-6-15-4-3-10(9)16-5-8-1-2-11-13(17-8)18-12(19)7-20-11/h1-2,9-10,15-16H,3-7H2,(H,17,18,19)/t9-,10+/m1/s1
InChIKeyJXKZLWSRMXFFCW-ZJUUUORDSA-N
MW296.37 g/mol
LogP0.92
Rot. Bonds3

About 6-[[[(3R,4S)-3-fluoropiperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one

6-[[[(3R,4S)-3-fluoropiperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one (PubChem CID 68565555) has the molecular formula C13H17FN4OS and a molecular weight of 296.37 g/mol. Its IUPAC name is 6-[[[(3R,4S)-3-fluoropiperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one.

Molecular Properties

Compound Name6-[[[(3R,4S)-3-fluoropiperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
PubChem CID68565555
Molecular FormulaC13H17FN4OS
Molecular Weight296.37 g/mol
Exact Mass296.11
IUPAC Name6-[[[(3R,4S)-3-fluoropiperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
SMILESO=C1CSc2ccc(CN[C@H]3CCNC[C@H]3F)nc2N1
InChIInChI=1S/C13H17FN4OS/c14-9-6-15-4-3-10(9)16-5-8-1-2-11-13(17-8)18-12(19)7-20-11/h1-2,9-10,15-16H,3-7H2,(H,17,18,19)/t9-,10+/m1/s1
InChIKeyJXKZLWSRMXFFCW-ZJUUUORDSA-N
XLogP0.92
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[[(3R,4S)-3-fluoropiperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The IUPAC name of 6-[[[(3R,4S)-3-fluoropiperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one (CID 68565555) is 6-[[[(3R,4S)-3-fluoropiperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one.
What is the SMILES notation for 6-[[[(3R,4S)-3-fluoropiperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The canonical SMILES for 6-[[[(3R,4S)-3-fluoropiperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one is O=C1CSc2ccc(CN[C@H]3CCNC[C@H]3F)nc2N1.
What is the InChIKey of 6-[[[(3R,4S)-3-fluoropiperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The InChIKey is JXKZLWSRMXFFCW-ZJUUUORDSA-N. The full InChI is InChI=1S/C13H17FN4OS/c14-9-6-15-4-3-10(9)16-5-8-1-2-11-13(17-8)18-12(19)7-20-11/h1-2,9-10,15-16H,3-7H2,(H,17,18,19)/t9-,10+/m1/s1.
What are the key properties of 6-[[[(3R,4S)-3-fluoropiperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
6-[[[(3R,4S)-3-fluoropiperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one has a molecular weight of 296.37 g/mol, XLogP of 0.92, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[(3R,4S)-3-fluoropiperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one is sourced from PubChem (CID 68565555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).