(7S)-4-(3-chlorophenyl)-3-methyl-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione

C22H21ClN2O5S — CID 95166475

IUPAC(7S)-4-(3-chlorophenyl)-3-methyl-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione
SMILESCOc1cc([C@@H]2CC(=O)N(c3cccc(Cl)c3)c3c2sc(=O)n3C)cc(OC)c1OC
InChIInChI=1S/C22H21ClN2O5S/c1-24-21-20(31-22(24)27)15(11-18(26)25(21)14-7-5-6-13(23)10-14)12-8-16(28-2)19(30-4)17(9-12)29-3/h5-10,15H,11H2,1-4H3/t15-/m0/s1
InChIKeyLEPIMCQJDRJKRB-HNNXBMFYSA-N
MW460.94 g/mol
LogP4.33
Rot. Bonds5

About (7S)-4-(3-chlorophenyl)-3-methyl-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione

(7S)-4-(3-chlorophenyl)-3-methyl-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione (PubChem CID 95166475) has the molecular formula C22H21ClN2O5S and a molecular weight of 460.94 g/mol. Its IUPAC name is (7S)-4-(3-chlorophenyl)-3-methyl-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione.

Molecular Properties

Compound Name(7S)-4-(3-chlorophenyl)-3-methyl-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione
PubChem CID95166475
Molecular FormulaC22H21ClN2O5S
Molecular Weight460.94 g/mol
Exact Mass460.09
IUPAC Name(7S)-4-(3-chlorophenyl)-3-methyl-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione
SMILESCOc1cc([C@@H]2CC(=O)N(c3cccc(Cl)c3)c3c2sc(=O)n3C)cc(OC)c1OC
InChIInChI=1S/C22H21ClN2O5S/c1-24-21-20(31-22(24)27)15(11-18(26)25(21)14-7-5-6-13(23)10-14)12-8-16(28-2)19(30-4)17(9-12)29-3/h5-10,15H,11H2,1-4H3/t15-/m0/s1
InChIKeyLEPIMCQJDRJKRB-HNNXBMFYSA-N
XLogP4.33
TPSA70.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.94
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-methyl-4-phenyl-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione
CID 46948899
(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
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
1-(3-chlorophenyl)-4-(3,4,5-trimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 4905723
4-(3-bromophenyl)-7-(4-methoxyphenyl)-3-methyl-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione
CID 51052981
(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
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-(4-methoxyphenyl)-3-methyl-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione
CID 46949769
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
7-(2-chlorophenyl)-3-methyl-4-phenyl-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione
CID 51053068
(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

Frequently Asked Questions

What is the IUPAC name of (7S)-4-(3-chlorophenyl)-3-methyl-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione?
The IUPAC name of (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) is (7S)-4-(3-chlorophenyl)-3-methyl-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione.
What is the SMILES notation for (7S)-4-(3-chlorophenyl)-3-methyl-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione?
The canonical SMILES for (7S)-4-(3-chlorophenyl)-3-methyl-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione is COc1cc([C@@H]2CC(=O)N(c3cccc(Cl)c3)c3c2sc(=O)n3C)cc(OC)c1OC.
What is the InChIKey of (7S)-4-(3-chlorophenyl)-3-methyl-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione?
The InChIKey is LEPIMCQJDRJKRB-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H21ClN2O5S/c1-24-21-20(31-22(24)27)15(11-18(26)25(21)14-7-5-6-13(23)10-14)12-8-16(28-2)19(30-4)17(9-12)29-3/h5-10,15H,11H2,1-4H3/t15-/m0/s1.
What are the key properties of (7S)-4-(3-chlorophenyl)-3-methyl-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione?
(7S)-4-(3-chlorophenyl)-3-methyl-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione has a molecular weight of 460.94 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-4-(3-chlorophenyl)-3-methyl-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione is sourced from PubChem (CID 95166475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).