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

C17H15F2N3OS — CID 57448349

IUPAC2-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]phenoxy]-[1,3]thiazolo[4,5-b]pyridine
SMILESFC1(F)CCN(Cc2ccc(Oc3nc4ncccc4s3)cc2)C1
InChIInChI=1S/C17H15F2N3OS/c18-17(19)7-9-22(11-17)10-12-3-5-13(6-4-12)23-16-21-15-14(24-16)2-1-8-20-15/h1-6,8H,7,9-11H2
InChIKeyBZPPFQXSPRKQQQ-UHFFFAOYSA-N
MW347.39 g/mol
LogP4.32
Rot. Bonds4

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

2-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]phenoxy]-[1,3]thiazolo[4,5-b]pyridine (PubChem CID 57448349) has the molecular formula C17H15F2N3OS and a molecular weight of 347.39 g/mol. Its IUPAC name is 2-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]phenoxy]-[1,3]thiazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]phenoxy]-[1,3]thiazolo[4,5-b]pyridine
PubChem CID57448349
Molecular FormulaC17H15F2N3OS
Molecular Weight347.39 g/mol
Exact Mass347.09
IUPAC Name2-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]phenoxy]-[1,3]thiazolo[4,5-b]pyridine
SMILESFC1(F)CCN(Cc2ccc(Oc3nc4ncccc4s3)cc2)C1
InChIInChI=1S/C17H15F2N3OS/c18-17(19)7-9-22(11-17)10-12-3-5-13(6-4-12)23-16-21-15-14(24-16)2-1-8-20-15/h1-6,8H,7,9-11H2
InChIKeyBZPPFQXSPRKQQQ-UHFFFAOYSA-N
XLogP4.32
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]phenoxy]-[1,3]thiazolo[4,5-b]pyridine with MolForge

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Related Compounds

CID 57910975
CID 57910975
CID 71456055
CID 71456055
CID 71457850
CID 71457850
CID 44479549
CID 44479549
CID 44481057
CID 44481057
CID 44481856
CID 44481856
CID 44481857
CID 44481857
CID 45482679
CID 45482679
CID 57448276
CID 57448276
CID 57448281
CID 57448281
CID 57448284
CID 57448284
CID 57448289
CID 57448289

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]phenoxy]-[1,3]thiazolo[4,5-b]pyridine?
The IUPAC name of 2-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]phenoxy]-[1,3]thiazolo[4,5-b]pyridine (CID 57448349) is 2-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]phenoxy]-[1,3]thiazolo[4,5-b]pyridine.
What is the SMILES notation for 2-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]phenoxy]-[1,3]thiazolo[4,5-b]pyridine?
The canonical SMILES for 2-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]phenoxy]-[1,3]thiazolo[4,5-b]pyridine is FC1(F)CCN(Cc2ccc(Oc3nc4ncccc4s3)cc2)C1.
What is the InChIKey of 2-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]phenoxy]-[1,3]thiazolo[4,5-b]pyridine?
The InChIKey is BZPPFQXSPRKQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3OS/c18-17(19)7-9-22(11-17)10-12-3-5-13(6-4-12)23-16-21-15-14(24-16)2-1-8-20-15/h1-6,8H,7,9-11H2.
What are the key properties of 2-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]phenoxy]-[1,3]thiazolo[4,5-b]pyridine?
2-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]phenoxy]-[1,3]thiazolo[4,5-b]pyridine has a molecular weight of 347.39 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]phenoxy]-[1,3]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 57448349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).