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

C19H16N2O2S — CID 51971446

IUPAC(7S)-7-(3-methoxyphenyl)-3-phenyl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one
SMILESCOc1cccc([C@@H]2CC(=O)Nc3c(-c4ccccc4)nsc32)c1
InChIInChI=1S/C19H16N2O2S/c1-23-14-9-5-8-13(10-14)15-11-16(22)20-18-17(21-24-19(15)18)12-6-3-2-4-7-12/h2-10,15H,11H2,1H3,(H,20,22)/t15-/m0/s1
InChIKeyKSZMBDAXVJRCIC-HNNXBMFYSA-N
MW336.42 g/mol
LogP4.29
Rot. Bonds3

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

(7S)-7-(3-methoxyphenyl)-3-phenyl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one (PubChem CID 51971446) has the molecular formula C19H16N2O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is (7S)-7-(3-methoxyphenyl)-3-phenyl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name(7S)-7-(3-methoxyphenyl)-3-phenyl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one
PubChem CID51971446
Molecular FormulaC19H16N2O2S
Molecular Weight336.42 g/mol
Exact Mass336.09
IUPAC Name(7S)-7-(3-methoxyphenyl)-3-phenyl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one
SMILESCOc1cccc([C@@H]2CC(=O)Nc3c(-c4ccccc4)nsc32)c1
InChIInChI=1S/C19H16N2O2S/c1-23-14-9-5-8-13(10-14)15-11-16(22)20-18-17(21-24-19(15)18)12-6-3-2-4-7-12/h2-10,15H,11H2,1H3,(H,20,22)/t15-/m0/s1
InChIKeyKSZMBDAXVJRCIC-HNNXBMFYSA-N
XLogP4.29
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (7S)-7-(3-methoxyphenyl)-3-phenyl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one with MolForge

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Related Compounds

(7S)-3-(4-methoxyphenyl)-7-pyridin-3-yl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one
CID 51688035
(7S)-7-(2,3-dimethoxyphenyl)-3-phenyl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one
CID 51688019
(7R)-7-(3-methoxyphenyl)-5-oxo-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid
CID 26413809
(7R)-7-(4-chlorophenyl)-3-(4-methoxyphenyl)-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one
CID 51688853
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)-3-(4-methoxyphenyl)-7-thiophen-3-yl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one
CID 51688859
(7S)-7-(3-methoxyphenyl)-3-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 94086133
(7R)-3-(3-fluorophenyl)-7-pyridin-3-yl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one
CID 51688044
(7R)-3,7-bis(4-fluorophenyl)-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one
CID 51688636
(7S)-3-(4-fluorophenyl)-7-pyridin-3-yl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one
CID 51688053
7-(3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 16763371
7-(3,4-dihydroxy-2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one
CID 46949252

Frequently Asked Questions

What is the IUPAC name of (7S)-7-(3-methoxyphenyl)-3-phenyl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one?
The IUPAC name of (7S)-7-(3-methoxyphenyl)-3-phenyl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one (CID 51971446) is (7S)-7-(3-methoxyphenyl)-3-phenyl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one.
What is the SMILES notation for (7S)-7-(3-methoxyphenyl)-3-phenyl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one?
The canonical SMILES for (7S)-7-(3-methoxyphenyl)-3-phenyl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one is COc1cccc([C@@H]2CC(=O)Nc3c(-c4ccccc4)nsc32)c1.
What is the InChIKey of (7S)-7-(3-methoxyphenyl)-3-phenyl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one?
The InChIKey is KSZMBDAXVJRCIC-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H16N2O2S/c1-23-14-9-5-8-13(10-14)15-11-16(22)20-18-17(21-24-19(15)18)12-6-3-2-4-7-12/h2-10,15H,11H2,1H3,(H,20,22)/t15-/m0/s1.
What are the key properties of (7S)-7-(3-methoxyphenyl)-3-phenyl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one?
(7S)-7-(3-methoxyphenyl)-3-phenyl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one has a molecular weight of 336.42 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-(3-methoxyphenyl)-3-phenyl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one is sourced from PubChem (CID 51971446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).