2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-6-methyl-5,6-dihydro-[1,3]thiazolo[4,5-c]pyridine

C16H17FN4S — CID 153372221

IUPAC2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-6-methyl-5,6-dihydro-[1,3]thiazolo[4,5-c]pyridine
SMILESCC1C=c2sc(-c3ccc(N4CC[C@@H](F)C4)nc3)nc2=CN1
InChIInChI=1S/C16H17FN4S/c1-10-6-14-13(8-18-10)20-16(22-14)11-2-3-15(19-7-11)21-5-4-12(17)9-21/h2-3,6-8,10,12,18H,4-5,9H2,1H3/t10?,12-/m1/s1
InChIKeyOBYRTKWGHRXCGC-TVKKRMFBSA-N
MW316.41 g/mol
LogP1.26
Rot. Bonds2

About 2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-6-methyl-5,6-dihydro-[1,3]thiazolo[4,5-c]pyridine

2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-6-methyl-5,6-dihydro-[1,3]thiazolo[4,5-c]pyridine (PubChem CID 153372221) has the molecular formula C16H17FN4S and a molecular weight of 316.41 g/mol. Its IUPAC name is 2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-6-methyl-5,6-dihydro-[1,3]thiazolo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-6-methyl-5,6-dihydro-[1,3]thiazolo[4,5-c]pyridine
PubChem CID153372221
Molecular FormulaC16H17FN4S
Molecular Weight316.41 g/mol
Exact Mass316.12
IUPAC Name2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-6-methyl-5,6-dihydro-[1,3]thiazolo[4,5-c]pyridine
SMILESCC1C=c2sc(-c3ccc(N4CC[C@@H](F)C4)nc3)nc2=CN1
InChIInChI=1S/C16H17FN4S/c1-10-6-14-13(8-18-10)20-16(22-14)11-2-3-15(19-7-11)21-5-4-12(17)9-21/h2-3,6-8,10,12,18H,4-5,9H2,1H3/t10?,12-/m1/s1
InChIKeyOBYRTKWGHRXCGC-TVKKRMFBSA-N
XLogP1.26
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-6-methyl-5,6-dihydro-[1,3]thiazolo[4,5-c]pyridine?
The IUPAC name of 2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-6-methyl-5,6-dihydro-[1,3]thiazolo[4,5-c]pyridine (CID 153372221) is 2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-6-methyl-5,6-dihydro-[1,3]thiazolo[4,5-c]pyridine.
What is the SMILES notation for 2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-6-methyl-5,6-dihydro-[1,3]thiazolo[4,5-c]pyridine?
The canonical SMILES for 2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-6-methyl-5,6-dihydro-[1,3]thiazolo[4,5-c]pyridine is CC1C=c2sc(-c3ccc(N4CC[C@@H](F)C4)nc3)nc2=CN1.
What is the InChIKey of 2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-6-methyl-5,6-dihydro-[1,3]thiazolo[4,5-c]pyridine?
The InChIKey is OBYRTKWGHRXCGC-TVKKRMFBSA-N. The full InChI is InChI=1S/C16H17FN4S/c1-10-6-14-13(8-18-10)20-16(22-14)11-2-3-15(19-7-11)21-5-4-12(17)9-21/h2-3,6-8,10,12,18H,4-5,9H2,1H3/t10?,12-/m1/s1.
What are the key properties of 2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-6-methyl-5,6-dihydro-[1,3]thiazolo[4,5-c]pyridine?
2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-6-methyl-5,6-dihydro-[1,3]thiazolo[4,5-c]pyridine has a molecular weight of 316.41 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-6-methyl-5,6-dihydro-[1,3]thiazolo[4,5-c]pyridine is sourced from PubChem (CID 153372221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).