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

C14H14FN5OS — CID 166475252

IUPAC2-[2-[(3S)-3-fluoropyrrolidin-1-yl]pyrimidin-5-yl]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESO=C1NCCc2nc(-c3cnc(N4CC[C@H](F)C4)nc3)sc21
InChIInChI=1S/C14H14FN5OS/c15-9-2-4-20(7-9)14-17-5-8(6-18-14)13-19-10-1-3-16-12(21)11(10)22-13/h5-6,9H,1-4,7H2,(H,16,21)/t9-/m0/s1
InChIKeyXINBENYEBNLQDB-VIFPVBQESA-N
MW319.37 g/mol
LogP1.43
Rot. Bonds2

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

2-[2-[(3S)-3-fluoropyrrolidin-1-yl]pyrimidin-5-yl]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one (PubChem CID 166475252) has the molecular formula C14H14FN5OS and a molecular weight of 319.37 g/mol. Its IUPAC name is 2-[2-[(3S)-3-fluoropyrrolidin-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-fluoropyrrolidin-1-yl]pyrimidin-5-yl]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one
PubChem CID166475252
Molecular FormulaC14H14FN5OS
Molecular Weight319.37 g/mol
Exact Mass319.09
IUPAC Name2-[2-[(3S)-3-fluoropyrrolidin-1-yl]pyrimidin-5-yl]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESO=C1NCCc2nc(-c3cnc(N4CC[C@H](F)C4)nc3)sc21
InChIInChI=1S/C14H14FN5OS/c15-9-2-4-20(7-9)14-17-5-8(6-18-14)13-19-10-1-3-16-12(21)11(10)22-13/h5-6,9H,1-4,7H2,(H,16,21)/t9-/m0/s1
InChIKeyXINBENYEBNLQDB-VIFPVBQESA-N
XLogP1.43
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 51.43
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-fluoropyrrolidin-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-fluoropyrrolidin-1-yl]pyrimidin-5-yl]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one (CID 166475252) is 2-[2-[(3S)-3-fluoropyrrolidin-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-fluoropyrrolidin-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-fluoropyrrolidin-1-yl]pyrimidin-5-yl]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one is O=C1NCCc2nc(-c3cnc(N4CC[C@H](F)C4)nc3)sc21.
What is the InChIKey of 2-[2-[(3S)-3-fluoropyrrolidin-1-yl]pyrimidin-5-yl]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one?
The InChIKey is XINBENYEBNLQDB-VIFPVBQESA-N. The full InChI is InChI=1S/C14H14FN5OS/c15-9-2-4-20(7-9)14-17-5-8(6-18-14)13-19-10-1-3-16-12(21)11(10)22-13/h5-6,9H,1-4,7H2,(H,16,21)/t9-/m0/s1.
What are the key properties of 2-[2-[(3S)-3-fluoropyrrolidin-1-yl]pyrimidin-5-yl]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one?
2-[2-[(3S)-3-fluoropyrrolidin-1-yl]pyrimidin-5-yl]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one has a molecular weight of 319.37 g/mol, XLogP of 1.43, 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-fluoropyrrolidin-1-yl]pyrimidin-5-yl]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one is sourced from PubChem (CID 166475252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).