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

C17H12FN3OS — CID 51688053

IUPAC(7S)-3-(4-fluorophenyl)-7-pyridin-3-yl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one
SMILESO=C1C[C@@H](c2cccnc2)c2snc(-c3ccc(F)cc3)c2N1
InChIInChI=1S/C17H12FN3OS/c18-12-5-3-10(4-6-12)15-16-17(23-21-15)13(8-14(22)20-16)11-2-1-7-19-9-11/h1-7,9,13H,8H2,(H,20,22)/t13-/m0/s1
InChIKeyVQWXVCYQTBSVNW-ZDUSSCGKSA-N
MW325.37 g/mol
LogP3.82
Rot. Bonds2

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

(7S)-3-(4-fluorophenyl)-7-pyridin-3-yl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one (PubChem CID 51688053) has the molecular formula C17H12FN3OS and a molecular weight of 325.37 g/mol. Its IUPAC name is (7S)-3-(4-fluorophenyl)-7-pyridin-3-yl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name(7S)-3-(4-fluorophenyl)-7-pyridin-3-yl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one
PubChem CID51688053
Molecular FormulaC17H12FN3OS
Molecular Weight325.37 g/mol
Exact Mass325.07
IUPAC Name(7S)-3-(4-fluorophenyl)-7-pyridin-3-yl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one
SMILESO=C1C[C@@H](c2cccnc2)c2snc(-c3ccc(F)cc3)c2N1
InChIInChI=1S/C17H12FN3OS/c18-12-5-3-10(4-6-12)15-16-17(23-21-15)13(8-14(22)20-16)11-2-1-7-19-9-11/h1-7,9,13H,8H2,(H,20,22)/t13-/m0/s1
InChIKeyVQWXVCYQTBSVNW-ZDUSSCGKSA-N
XLogP3.82
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(7R)-3-(3-fluorophenyl)-7-pyridin-3-yl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one
CID 51688044
(7S)-3-(4-methoxyphenyl)-7-pyridin-3-yl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one
CID 51688035
(7R)-3,7-bis(4-fluorophenyl)-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one
CID 51688636
(7S)-7-(3-methoxyphenyl)-3-phenyl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one
CID 51971446
2-[5-[(7S)-3-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-7-yl]-2-methoxyphenoxy]acetamide
CID 51688051
(7R)-3-(4-methoxyphenyl)-7-thiophen-3-yl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one
CID 51688859
3-(4-chlorophenyl)-7-(2,3-dimethoxyphenyl)-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one
CID 42654360
(7S)-7-(2,3-dimethoxyphenyl)-3-phenyl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one
CID 51688019
(7R)-3-(3-fluorophenyl)-7-pyridin-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51973916
ethane;molecular hydrogen;3-pyridin-3-ylpiperidine-2,6-dione
CID 177198142
2-[2-methoxy-5-(5-oxo-3-phenyl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-7-yl)phenoxy]acetamide
CID 43819124
(7R)-7-(4-fluorophenyl)-3-pyridin-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51973940

Frequently Asked Questions

What is the IUPAC name of (7S)-3-(4-fluorophenyl)-7-pyridin-3-yl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one?
The IUPAC name of (7S)-3-(4-fluorophenyl)-7-pyridin-3-yl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one (CID 51688053) is (7S)-3-(4-fluorophenyl)-7-pyridin-3-yl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one.
What is the SMILES notation for (7S)-3-(4-fluorophenyl)-7-pyridin-3-yl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one?
The canonical SMILES for (7S)-3-(4-fluorophenyl)-7-pyridin-3-yl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one is O=C1C[C@@H](c2cccnc2)c2snc(-c3ccc(F)cc3)c2N1.
What is the InChIKey of (7S)-3-(4-fluorophenyl)-7-pyridin-3-yl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one?
The InChIKey is VQWXVCYQTBSVNW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H12FN3OS/c18-12-5-3-10(4-6-12)15-16-17(23-21-15)13(8-14(22)20-16)11-2-1-7-19-9-11/h1-7,9,13H,8H2,(H,20,22)/t13-/m0/s1.
What are the key properties of (7S)-3-(4-fluorophenyl)-7-pyridin-3-yl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one?
(7S)-3-(4-fluorophenyl)-7-pyridin-3-yl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one has a molecular weight of 325.37 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-3-(4-fluorophenyl)-7-pyridin-3-yl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one is sourced from PubChem (CID 51688053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).