4-(3-bromophenyl)-7-(4-methoxyphenyl)-3-methyl-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione

C20H17BrN2O3S — CID 51052981

IUPAC4-(3-bromophenyl)-7-(4-methoxyphenyl)-3-methyl-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione
SMILESCOc1ccc(C2CC(=O)N(c3cccc(Br)c3)c3c2sc(=O)n3C)cc1
InChIInChI=1S/C20H17BrN2O3S/c1-22-19-18(27-20(22)25)16(12-6-8-15(26-2)9-7-12)11-17(24)23(19)14-5-3-4-13(21)10-14/h3-10,16H,11H2,1-2H3
InChIKeyOKXFJPXSWWBECJ-UHFFFAOYSA-N
MW445.34 g/mol
LogP4.42
Rot. Bonds3

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

4-(3-bromophenyl)-7-(4-methoxyphenyl)-3-methyl-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione (PubChem CID 51052981) has the molecular formula C20H17BrN2O3S and a molecular weight of 445.34 g/mol. Its IUPAC name is 4-(3-bromophenyl)-7-(4-methoxyphenyl)-3-methyl-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione.

Molecular Properties

Compound Name4-(3-bromophenyl)-7-(4-methoxyphenyl)-3-methyl-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione
PubChem CID51052981
Molecular FormulaC20H17BrN2O3S
Molecular Weight445.34 g/mol
Exact Mass444.01
IUPAC Name4-(3-bromophenyl)-7-(4-methoxyphenyl)-3-methyl-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione
SMILESCOc1ccc(C2CC(=O)N(c3cccc(Br)c3)c3c2sc(=O)n3C)cc1
InChIInChI=1S/C20H17BrN2O3S/c1-22-19-18(27-20(22)25)16(12-6-8-15(26-2)9-7-12)11-17(24)23(19)14-5-3-4-13(21)10-14/h3-10,16H,11H2,1-2H3
InChIKeyOKXFJPXSWWBECJ-UHFFFAOYSA-N
XLogP4.42
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.34
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-(4-fluorophenyl)-4-(3-methoxyphenyl)-3-methyl-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione
CID 46949831
7-(4-fluorophenyl)-4-(4-methoxyphenyl)-3-methyl-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione
CID 46949769
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
3-methyl-4-phenyl-7-(4-propan-2-yloxyphenyl)-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione
CID 51053352
(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
(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
(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
(3R)-1-(3-bromophenyl)-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione
CID 1220420
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
(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 4-(3-bromophenyl)-7-(4-methoxyphenyl)-3-methyl-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione?
The IUPAC name of 4-(3-bromophenyl)-7-(4-methoxyphenyl)-3-methyl-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione (CID 51052981) is 4-(3-bromophenyl)-7-(4-methoxyphenyl)-3-methyl-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione.
What is the SMILES notation for 4-(3-bromophenyl)-7-(4-methoxyphenyl)-3-methyl-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione?
The canonical SMILES for 4-(3-bromophenyl)-7-(4-methoxyphenyl)-3-methyl-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione is COc1ccc(C2CC(=O)N(c3cccc(Br)c3)c3c2sc(=O)n3C)cc1.
What is the InChIKey of 4-(3-bromophenyl)-7-(4-methoxyphenyl)-3-methyl-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione?
The InChIKey is OKXFJPXSWWBECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN2O3S/c1-22-19-18(27-20(22)25)16(12-6-8-15(26-2)9-7-12)11-17(24)23(19)14-5-3-4-13(21)10-14/h3-10,16H,11H2,1-2H3.
What are the key properties of 4-(3-bromophenyl)-7-(4-methoxyphenyl)-3-methyl-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione?
4-(3-bromophenyl)-7-(4-methoxyphenyl)-3-methyl-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione has a molecular weight of 445.34 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-7-(4-methoxyphenyl)-3-methyl-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione is sourced from PubChem (CID 51052981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).