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

C19H15ClN2O2S — CID 51688853

IUPAC(7R)-7-(4-chlorophenyl)-3-(4-methoxyphenyl)-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one
SMILESCOc1ccc(-c2nsc3c2NC(=O)C[C@@H]3c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H15ClN2O2S/c1-24-14-8-4-12(5-9-14)17-18-19(25-22-17)15(10-16(23)21-18)11-2-6-13(20)7-3-11/h2-9,15H,10H2,1H3,(H,21,23)/t15-/m1/s1
InChIKeyIWDQZPRHDLRVSL-OAHLLOKOSA-N
MW370.86 g/mol
LogP4.95
Rot. Bonds3

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

(7R)-7-(4-chlorophenyl)-3-(4-methoxyphenyl)-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one (PubChem CID 51688853) has the molecular formula C19H15ClN2O2S and a molecular weight of 370.86 g/mol. Its IUPAC name is (7R)-7-(4-chlorophenyl)-3-(4-methoxyphenyl)-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name(7R)-7-(4-chlorophenyl)-3-(4-methoxyphenyl)-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one
PubChem CID51688853
Molecular FormulaC19H15ClN2O2S
Molecular Weight370.86 g/mol
Exact Mass370.05
IUPAC Name(7R)-7-(4-chlorophenyl)-3-(4-methoxyphenyl)-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one
SMILESCOc1ccc(-c2nsc3c2NC(=O)C[C@@H]3c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H15ClN2O2S/c1-24-14-8-4-12(5-9-14)17-18-19(25-22-17)15(10-16(23)21-18)11-2-6-13(20)7-3-11/h2-9,15H,10H2,1H3,(H,21,23)/t15-/m1/s1
InChIKeyIWDQZPRHDLRVSL-OAHLLOKOSA-N
XLogP4.95
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.86
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(7R)-3-(4-methoxyphenyl)-7-thiophen-3-yl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one
CID 51688859
(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-(4-chlorophenyl)-3-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 94086223
(7R)-3,7-bis(4-fluorophenyl)-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one
CID 51688636
3-(4-chlorophenyl)-7-(2,3-dimethoxyphenyl)-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one
CID 42654360
(7S)-7-(3-methoxyphenyl)-3-phenyl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one
CID 51971446
(7R)-7-(4-chlorophenyl)-3-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid
CID 95061283
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
3-(4-chlorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)-4-(4-methoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135621015
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-chlorophenyl)-7-(4-propan-2-yloxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 22587180
(7S)-2-amino-7-(4-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 26342138

Frequently Asked Questions

What is the IUPAC name of (7R)-7-(4-chlorophenyl)-3-(4-methoxyphenyl)-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one?
The IUPAC name of (7R)-7-(4-chlorophenyl)-3-(4-methoxyphenyl)-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one (CID 51688853) is (7R)-7-(4-chlorophenyl)-3-(4-methoxyphenyl)-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one.
What is the SMILES notation for (7R)-7-(4-chlorophenyl)-3-(4-methoxyphenyl)-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one?
The canonical SMILES for (7R)-7-(4-chlorophenyl)-3-(4-methoxyphenyl)-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one is COc1ccc(-c2nsc3c2NC(=O)C[C@@H]3c2ccc(Cl)cc2)cc1.
What is the InChIKey of (7R)-7-(4-chlorophenyl)-3-(4-methoxyphenyl)-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one?
The InChIKey is IWDQZPRHDLRVSL-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H15ClN2O2S/c1-24-14-8-4-12(5-9-14)17-18-19(25-22-17)15(10-16(23)21-18)11-2-6-13(20)7-3-11/h2-9,15H,10H2,1H3,(H,21,23)/t15-/m1/s1.
What are the key properties of (7R)-7-(4-chlorophenyl)-3-(4-methoxyphenyl)-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one?
(7R)-7-(4-chlorophenyl)-3-(4-methoxyphenyl)-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one has a molecular weight of 370.86 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-(4-chlorophenyl)-3-(4-methoxyphenyl)-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one is sourced from PubChem (CID 51688853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).