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

C20H17ClN2O3S — CID 42654360

IUPAC3-(4-chlorophenyl)-7-(2,3-dimethoxyphenyl)-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one
SMILESCOc1cccc(C2CC(=O)Nc3c(-c4ccc(Cl)cc4)nsc32)c1OC
InChIInChI=1S/C20H17ClN2O3S/c1-25-15-5-3-4-13(19(15)26-2)14-10-16(24)22-18-17(23-27-20(14)18)11-6-8-12(21)9-7-11/h3-9,14H,10H2,1-2H3,(H,22,24)
InChIKeyRAIYZXGGAFCVEV-UHFFFAOYSA-N
MW400.89 g/mol
LogP4.95
Rot. Bonds4

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

3-(4-chlorophenyl)-7-(2,3-dimethoxyphenyl)-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one (PubChem CID 42654360) has the molecular formula C20H17ClN2O3S and a molecular weight of 400.89 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-7-(2,3-dimethoxyphenyl)-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-7-(2,3-dimethoxyphenyl)-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one
PubChem CID42654360
Molecular FormulaC20H17ClN2O3S
Molecular Weight400.89 g/mol
Exact Mass400.06
IUPAC Name3-(4-chlorophenyl)-7-(2,3-dimethoxyphenyl)-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one
SMILESCOc1cccc(C2CC(=O)Nc3c(-c4ccc(Cl)cc4)nsc32)c1OC
InChIInChI=1S/C20H17ClN2O3S/c1-25-15-5-3-4-13(19(15)26-2)14-10-16(24)22-18-17(23-27-20(14)18)11-6-8-12(21)9-7-11/h3-9,14H,10H2,1-2H3,(H,22,24)
InChIKeyRAIYZXGGAFCVEV-UHFFFAOYSA-N
XLogP4.95
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.89
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-7-(2,3-dimethoxyphenyl)-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one?
The IUPAC name of 3-(4-chlorophenyl)-7-(2,3-dimethoxyphenyl)-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one (CID 42654360) is 3-(4-chlorophenyl)-7-(2,3-dimethoxyphenyl)-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one.
What is the SMILES notation for 3-(4-chlorophenyl)-7-(2,3-dimethoxyphenyl)-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one?
The canonical SMILES for 3-(4-chlorophenyl)-7-(2,3-dimethoxyphenyl)-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one is COc1cccc(C2CC(=O)Nc3c(-c4ccc(Cl)cc4)nsc32)c1OC.
What is the InChIKey of 3-(4-chlorophenyl)-7-(2,3-dimethoxyphenyl)-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one?
The InChIKey is RAIYZXGGAFCVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O3S/c1-25-15-5-3-4-13(19(15)26-2)14-10-16(24)22-18-17(23-27-20(14)18)11-6-8-12(21)9-7-11/h3-9,14H,10H2,1-2H3,(H,22,24).
What are the key properties of 3-(4-chlorophenyl)-7-(2,3-dimethoxyphenyl)-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one?
3-(4-chlorophenyl)-7-(2,3-dimethoxyphenyl)-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one has a molecular weight of 400.89 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-7-(2,3-dimethoxyphenyl)-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one is sourced from PubChem (CID 42654360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).