methyl 2-[(7S)-4,7-bis(3-methoxyphenyl)-2,5-dioxo-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridin-3-yl]acetate

C23H22N2O6S — CID 95167163

IUPACmethyl 2-[(7S)-4,7-bis(3-methoxyphenyl)-2,5-dioxo-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridin-3-yl]acetate
SMILESCOC(=O)Cn1c2c(sc1=O)[C@H](c1cccc(OC)c1)CC(=O)N2c1cccc(OC)c1
InChIInChI=1S/C23H22N2O6S/c1-29-16-8-4-6-14(10-16)18-12-19(26)25(15-7-5-9-17(11-15)30-2)22-21(18)32-23(28)24(22)13-20(27)31-3/h4-11,18H,12-13H2,1-3H3/t18-/m0/s1
InChIKeyCJWORTSDUBTDJU-SFHVURJKSA-N
MW454.50 g/mol
LogP3.30
Rot. Bonds6

About methyl 2-[(7S)-4,7-bis(3-methoxyphenyl)-2,5-dioxo-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridin-3-yl]acetate

methyl 2-[(7S)-4,7-bis(3-methoxyphenyl)-2,5-dioxo-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridin-3-yl]acetate (PubChem CID 95167163) has the molecular formula C23H22N2O6S and a molecular weight of 454.50 g/mol. Its IUPAC name is methyl 2-[(7S)-4,7-bis(3-methoxyphenyl)-2,5-dioxo-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(7S)-4,7-bis(3-methoxyphenyl)-2,5-dioxo-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridin-3-yl]acetate
PubChem CID95167163
Molecular FormulaC23H22N2O6S
Molecular Weight454.50 g/mol
Exact Mass454.12
IUPAC Namemethyl 2-[(7S)-4,7-bis(3-methoxyphenyl)-2,5-dioxo-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridin-3-yl]acetate
SMILESCOC(=O)Cn1c2c(sc1=O)[C@H](c1cccc(OC)c1)CC(=O)N2c1cccc(OC)c1
InChIInChI=1S/C23H22N2O6S/c1-29-16-8-4-6-14(10-16)18-12-19(26)25(15-7-5-9-17(11-15)30-2)22-21(18)32-23(28)24(22)13-20(27)31-3/h4-11,18H,12-13H2,1-3H3/t18-/m0/s1
InChIKeyCJWORTSDUBTDJU-SFHVURJKSA-N
XLogP3.30
TPSA87.07 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.50
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 2-[(7S)-4,7-bis(3-methoxyphenyl)-2,5-dioxo-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridin-3-yl]acetate with MolForge

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Related Compounds

methyl 2-[4,7-bis(4-methoxyphenyl)-2,5-dioxo-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridin-3-yl]acetate
CID 46949759
methyl 2-[7-(3,4-dimethoxyphenyl)-2,5-dioxo-4-phenyl-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridin-3-yl]acetate
CID 46948893
methyl 2-[(7R)-7-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)-2,5-dioxo-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridin-3-yl]acetate
CID 95167096
methyl 2-[(7S)-7-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)-2,5-dioxo-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridin-3-yl]acetate
CID 95167095
7-(3-methoxyphenyl)-3-methyl-4-phenyl-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione
CID 46949760
4-(4-fluorophenyl)-7-(3-methoxyphenyl)-3-methyl-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione
CID 46949798
7-(4-fluorophenyl)-4-(3-methoxyphenyl)-3-methyl-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione
CID 46949831
methyl 2-[(7S)-4-(3-chlorophenyl)-7-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-2,5-dioxo-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridin-3-yl]acetate
CID 98084760
4-(3-bromophenyl)-7-(4-methoxyphenyl)-3-methyl-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione
CID 51052981
(7S)-4-(3-chlorophenyl)-3-methyl-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione
CID 95166475
(7S)-7-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-4-(3-methoxyphenyl)-3-methyl-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione
CID 95167179
7-(4-fluorophenyl)-4-(4-methoxyphenyl)-3-methyl-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione
CID 46949769

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(7S)-4,7-bis(3-methoxyphenyl)-2,5-dioxo-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridin-3-yl]acetate?
The IUPAC name of methyl 2-[(7S)-4,7-bis(3-methoxyphenyl)-2,5-dioxo-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridin-3-yl]acetate (CID 95167163) is methyl 2-[(7S)-4,7-bis(3-methoxyphenyl)-2,5-dioxo-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridin-3-yl]acetate.
What is the SMILES notation for methyl 2-[(7S)-4,7-bis(3-methoxyphenyl)-2,5-dioxo-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridin-3-yl]acetate?
The canonical SMILES for methyl 2-[(7S)-4,7-bis(3-methoxyphenyl)-2,5-dioxo-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridin-3-yl]acetate is COC(=O)Cn1c2c(sc1=O)[C@H](c1cccc(OC)c1)CC(=O)N2c1cccc(OC)c1.
What is the InChIKey of methyl 2-[(7S)-4,7-bis(3-methoxyphenyl)-2,5-dioxo-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridin-3-yl]acetate?
The InChIKey is CJWORTSDUBTDJU-SFHVURJKSA-N. The full InChI is InChI=1S/C23H22N2O6S/c1-29-16-8-4-6-14(10-16)18-12-19(26)25(15-7-5-9-17(11-15)30-2)22-21(18)32-23(28)24(22)13-20(27)31-3/h4-11,18H,12-13H2,1-3H3/t18-/m0/s1.
What are the key properties of methyl 2-[(7S)-4,7-bis(3-methoxyphenyl)-2,5-dioxo-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridin-3-yl]acetate?
methyl 2-[(7S)-4,7-bis(3-methoxyphenyl)-2,5-dioxo-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridin-3-yl]acetate has a molecular weight of 454.50 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(7S)-4,7-bis(3-methoxyphenyl)-2,5-dioxo-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridin-3-yl]acetate is sourced from PubChem (CID 95167163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).