2-[2-[(3S)-3-fluoropiperidin-1-yl]pyrimidin-5-yl]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one

C15H16FN5OS — CID 166475154

IUPAC2-[2-[(3S)-3-fluoropiperidin-1-yl]pyrimidin-5-yl]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESO=C1NCCc2nc(-c3cnc(N4CCC[C@H](F)C4)nc3)sc21
InChIInChI=1S/C15H16FN5OS/c16-10-2-1-5-21(8-10)15-18-6-9(7-19-15)14-20-11-3-4-17-13(22)12(11)23-14/h6-7,10H,1-5,8H2,(H,17,22)/t10-/m0/s1
InChIKeyJLOCGWZMJWJIJT-JTQLQIEISA-N
MW333.39 g/mol
LogP1.82
Rot. Bonds2

About 2-[2-[(3S)-3-fluoropiperidin-1-yl]pyrimidin-5-yl]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one

2-[2-[(3S)-3-fluoropiperidin-1-yl]pyrimidin-5-yl]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one (PubChem CID 166475154) has the molecular formula C15H16FN5OS and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-[2-[(3S)-3-fluoropiperidin-1-yl]pyrimidin-5-yl]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one.

Molecular Properties

Compound Name2-[2-[(3S)-3-fluoropiperidin-1-yl]pyrimidin-5-yl]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one
PubChem CID166475154
Molecular FormulaC15H16FN5OS
Molecular Weight333.39 g/mol
Exact Mass333.11
IUPAC Name2-[2-[(3S)-3-fluoropiperidin-1-yl]pyrimidin-5-yl]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESO=C1NCCc2nc(-c3cnc(N4CCC[C@H](F)C4)nc3)sc21
InChIInChI=1S/C15H16FN5OS/c16-10-2-1-5-21(8-10)15-18-6-9(7-19-15)14-20-11-3-4-17-13(22)12(11)23-14/h6-7,10H,1-5,8H2,(H,17,22)/t10-/m0/s1
InChIKeyJLOCGWZMJWJIJT-JTQLQIEISA-N
XLogP1.82
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3S)-3-fluoropiperidin-1-yl]pyrimidin-5-yl]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one?
The IUPAC name of 2-[2-[(3S)-3-fluoropiperidin-1-yl]pyrimidin-5-yl]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one (CID 166475154) is 2-[2-[(3S)-3-fluoropiperidin-1-yl]pyrimidin-5-yl]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one.
What is the SMILES notation for 2-[2-[(3S)-3-fluoropiperidin-1-yl]pyrimidin-5-yl]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one?
The canonical SMILES for 2-[2-[(3S)-3-fluoropiperidin-1-yl]pyrimidin-5-yl]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one is O=C1NCCc2nc(-c3cnc(N4CCC[C@H](F)C4)nc3)sc21.
What is the InChIKey of 2-[2-[(3S)-3-fluoropiperidin-1-yl]pyrimidin-5-yl]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one?
The InChIKey is JLOCGWZMJWJIJT-JTQLQIEISA-N. The full InChI is InChI=1S/C15H16FN5OS/c16-10-2-1-5-21(8-10)15-18-6-9(7-19-15)14-20-11-3-4-17-13(22)12(11)23-14/h6-7,10H,1-5,8H2,(H,17,22)/t10-/m0/s1.
What are the key properties of 2-[2-[(3S)-3-fluoropiperidin-1-yl]pyrimidin-5-yl]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one?
2-[2-[(3S)-3-fluoropiperidin-1-yl]pyrimidin-5-yl]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one has a molecular weight of 333.39 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3S)-3-fluoropiperidin-1-yl]pyrimidin-5-yl]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one is sourced from PubChem (CID 166475154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).