2-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]phenoxy]-[1,3]thiazolo[4,5-b]pyridine

C17H16FN3OS — CID 57464042

IUPAC2-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]phenoxy]-[1,3]thiazolo[4,5-b]pyridine
SMILESF[C@@H]1CCN(Cc2ccc(Oc3nc4ncccc4s3)cc2)C1
InChIInChI=1S/C17H16FN3OS/c18-13-7-9-21(11-13)10-12-3-5-14(6-4-12)22-17-20-16-15(23-17)2-1-8-19-16/h1-6,8,13H,7,9-11H2/t13-/m1/s1
InChIKeyYTNMRLKBJDRDGM-CYBMUJFWSA-N
MW329.40 g/mol
LogP4.03
Rot. Bonds4

About 2-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]phenoxy]-[1,3]thiazolo[4,5-b]pyridine

2-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]phenoxy]-[1,3]thiazolo[4,5-b]pyridine (PubChem CID 57464042) has the molecular formula C17H16FN3OS and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]phenoxy]-[1,3]thiazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]phenoxy]-[1,3]thiazolo[4,5-b]pyridine
PubChem CID57464042
Molecular FormulaC17H16FN3OS
Molecular Weight329.40 g/mol
Exact Mass329.10
IUPAC Name2-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]phenoxy]-[1,3]thiazolo[4,5-b]pyridine
SMILESF[C@@H]1CCN(Cc2ccc(Oc3nc4ncccc4s3)cc2)C1
InChIInChI=1S/C17H16FN3OS/c18-13-7-9-21(11-13)10-12-3-5-14(6-4-12)22-17-20-16-15(23-17)2-1-8-19-16/h1-6,8,13H,7,9-11H2/t13-/m1/s1
InChIKeyYTNMRLKBJDRDGM-CYBMUJFWSA-N
XLogP4.03
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]phenoxy]-[1,3]thiazolo[4,5-b]pyridine?
The IUPAC name of 2-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]phenoxy]-[1,3]thiazolo[4,5-b]pyridine (CID 57464042) is 2-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]phenoxy]-[1,3]thiazolo[4,5-b]pyridine.
What is the SMILES notation for 2-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]phenoxy]-[1,3]thiazolo[4,5-b]pyridine?
The canonical SMILES for 2-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]phenoxy]-[1,3]thiazolo[4,5-b]pyridine is F[C@@H]1CCN(Cc2ccc(Oc3nc4ncccc4s3)cc2)C1.
What is the InChIKey of 2-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]phenoxy]-[1,3]thiazolo[4,5-b]pyridine?
The InChIKey is YTNMRLKBJDRDGM-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H16FN3OS/c18-13-7-9-21(11-13)10-12-3-5-14(6-4-12)22-17-20-16-15(23-17)2-1-8-19-16/h1-6,8,13H,7,9-11H2/t13-/m1/s1.
What are the key properties of 2-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]phenoxy]-[1,3]thiazolo[4,5-b]pyridine?
2-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]phenoxy]-[1,3]thiazolo[4,5-b]pyridine has a molecular weight of 329.40 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]phenoxy]-[1,3]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 57464042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).