(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

C23H22N2O7S — CID 95167179

IUPAC(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
SMILESCOc1cccc(N2C(=O)C[C@@H](c3cc(OC)c4c(c3OC)OCO4)c3sc(=O)n(C)c32)c1
InChIInChI=1S/C23H22N2O7S/c1-24-22-21(33-23(24)27)15(10-17(26)25(22)12-6-5-7-13(8-12)28-2)14-9-16(29-3)19-20(18(14)30-4)32-11-31-19/h5-9,15H,10-11H2,1-4H3/t15-/m0/s1
InChIKeyJXVMAKATPCKHFP-HNNXBMFYSA-N
MW470.50 g/mol
LogP3.40
Rot. Bonds5

About (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

(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 (PubChem CID 95167179) has the molecular formula C23H22N2O7S and a molecular weight of 470.50 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID95167179
Molecular FormulaC23H22N2O7S
Molecular Weight470.50 g/mol
Exact Mass470.11
IUPAC Name(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
SMILESCOc1cccc(N2C(=O)C[C@@H](c3cc(OC)c4c(c3OC)OCO4)c3sc(=O)n(C)c32)c1
InChIInChI=1S/C23H22N2O7S/c1-24-22-21(33-23(24)27)15(10-17(26)25(22)12-6-5-7-13(8-12)28-2)14-9-16(29-3)19-20(18(14)30-4)32-11-31-19/h5-9,15H,10-11H2,1-4H3/t15-/m0/s1
InChIKeyJXVMAKATPCKHFP-HNNXBMFYSA-N
XLogP3.40
TPSA88.46 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.50
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze (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 with MolForge

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Related Compounds

(7S)-4-(3-chlorophenyl)-7-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-3-methyl-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione
CID 95167141
(7R)-7-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-3-methyl-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione
CID 95167146
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
(7R)-7-(7-methoxy-1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-3-methyl-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione
CID 95167144
7-(4-fluorophenyl)-4-(3-methoxyphenyl)-3-methyl-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione
CID 46949831
7-(3-methoxyphenyl)-3-methyl-4-phenyl-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione
CID 46949760
(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
3-methyl-4-phenyl-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione
CID 46948899
4-(4-fluorophenyl)-7-(3-methoxyphenyl)-3-methyl-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione
CID 46949798
4-(3-bromophenyl)-7-(4-methoxyphenyl)-3-methyl-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione
CID 51052981
7-(4-fluorophenyl)-4-(4-methoxyphenyl)-3-methyl-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione
CID 46949769
7-(2-chlorophenyl)-3-methyl-4-phenyl-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione
CID 51053068

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COc1cccc(N2C(=O)C[C@@H](c3cc(OC)c4c(c3OC)OCO4)c3sc(=O)n(C)c32)c1.
What is the InChIKey of (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?
The InChIKey is JXVMAKATPCKHFP-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H22N2O7S/c1-24-22-21(33-23(24)27)15(10-17(26)25(22)12-6-5-7-13(8-12)28-2)14-9-16(29-3)19-20(18(14)30-4)32-11-31-19/h5-9,15H,10-11H2,1-4H3/t15-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 470.50 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 95167179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).