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

C17H14N2O2S2 — CID 51688859

IUPAC(7R)-3-(4-methoxyphenyl)-7-thiophen-3-yl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one
SMILESCOc1ccc(-c2nsc3c2NC(=O)C[C@@H]3c2ccsc2)cc1
InChIInChI=1S/C17H14N2O2S2/c1-21-12-4-2-10(3-5-12)15-16-17(23-19-15)13(8-14(20)18-16)11-6-7-22-9-11/h2-7,9,13H,8H2,1H3,(H,18,20)/t13-/m1/s1
InChIKeyXLOUBGPMIJYYDY-CYBMUJFWSA-N
MW342.45 g/mol
LogP4.35
Rot. Bonds3

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

(7R)-3-(4-methoxyphenyl)-7-thiophen-3-yl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one (PubChem CID 51688859) has the molecular formula C17H14N2O2S2 and a molecular weight of 342.45 g/mol. Its IUPAC name is (7R)-3-(4-methoxyphenyl)-7-thiophen-3-yl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name(7R)-3-(4-methoxyphenyl)-7-thiophen-3-yl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one
PubChem CID51688859
Molecular FormulaC17H14N2O2S2
Molecular Weight342.45 g/mol
Exact Mass342.05
IUPAC Name(7R)-3-(4-methoxyphenyl)-7-thiophen-3-yl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one
SMILESCOc1ccc(-c2nsc3c2NC(=O)C[C@@H]3c2ccsc2)cc1
InChIInChI=1S/C17H14N2O2S2/c1-21-12-4-2-10(3-5-12)15-16-17(23-19-15)13(8-14(20)18-16)11-6-7-22-9-11/h2-7,9,13H,8H2,1H3,(H,18,20)/t13-/m1/s1
InChIKeyXLOUBGPMIJYYDY-CYBMUJFWSA-N
XLogP4.35
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(7R)-7-(4-chlorophenyl)-3-(4-methoxyphenyl)-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one
CID 51688853
(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-(3-methoxyphenyl)-3-phenyl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one
CID 51971446
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
(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
3-(4-chlorophenyl)-7-(2,3-dimethoxyphenyl)-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one
CID 42654360
(7R)-1-(4-methoxyphenyl)-5-oxo-7-thiophen-3-yl-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
CID 51971529
(7S)-7-(2,3-dimethoxyphenyl)-3-phenyl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one
CID 51688019
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
3-(4-fluorophenyl)-7-thiophen-3-yl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 50811673
(7S)-7-(4-chlorophenyl)-3-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 94086223

Frequently Asked Questions

What is the IUPAC name of (7R)-3-(4-methoxyphenyl)-7-thiophen-3-yl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one?
The IUPAC name of (7R)-3-(4-methoxyphenyl)-7-thiophen-3-yl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one (CID 51688859) is (7R)-3-(4-methoxyphenyl)-7-thiophen-3-yl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one.
What is the SMILES notation for (7R)-3-(4-methoxyphenyl)-7-thiophen-3-yl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one?
The canonical SMILES for (7R)-3-(4-methoxyphenyl)-7-thiophen-3-yl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one is COc1ccc(-c2nsc3c2NC(=O)C[C@@H]3c2ccsc2)cc1.
What is the InChIKey of (7R)-3-(4-methoxyphenyl)-7-thiophen-3-yl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one?
The InChIKey is XLOUBGPMIJYYDY-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H14N2O2S2/c1-21-12-4-2-10(3-5-12)15-16-17(23-19-15)13(8-14(20)18-16)11-6-7-22-9-11/h2-7,9,13H,8H2,1H3,(H,18,20)/t13-/m1/s1.
What are the key properties of (7R)-3-(4-methoxyphenyl)-7-thiophen-3-yl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one?
(7R)-3-(4-methoxyphenyl)-7-thiophen-3-yl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one has a molecular weight of 342.45 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-3-(4-methoxyphenyl)-7-thiophen-3-yl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one is sourced from PubChem (CID 51688859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).