3-methyl-4-phenyl-7-(4-propan-2-yloxyphenyl)-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione

C22H22N2O3S — CID 51053352

IUPAC3-methyl-4-phenyl-7-(4-propan-2-yloxyphenyl)-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione
SMILESCC(C)Oc1ccc(C2CC(=O)N(c3ccccc3)c3c2sc(=O)n3C)cc1
InChIInChI=1S/C22H22N2O3S/c1-14(2)27-17-11-9-15(10-12-17)18-13-19(25)24(16-7-5-4-6-8-16)21-20(18)28-22(26)23(21)3/h4-12,14,18H,13H2,1-3H3
InChIKeyGBCPJLPEERTUDZ-UHFFFAOYSA-N
MW394.50 g/mol
LogP4.43
Rot. Bonds4

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

3-methyl-4-phenyl-7-(4-propan-2-yloxyphenyl)-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione (PubChem CID 51053352) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is 3-methyl-4-phenyl-7-(4-propan-2-yloxyphenyl)-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione.

Molecular Properties

Compound Name3-methyl-4-phenyl-7-(4-propan-2-yloxyphenyl)-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione
PubChem CID51053352
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC Name3-methyl-4-phenyl-7-(4-propan-2-yloxyphenyl)-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione
SMILESCC(C)Oc1ccc(C2CC(=O)N(c3ccccc3)c3c2sc(=O)n3C)cc1
InChIInChI=1S/C22H22N2O3S/c1-14(2)27-17-11-9-15(10-12-17)18-13-19(25)24(16-7-5-4-6-8-16)21-20(18)28-22(26)23(21)3/h4-12,14,18H,13H2,1-3H3
InChIKeyGBCPJLPEERTUDZ-UHFFFAOYSA-N
XLogP4.43
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
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-(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-(3-methoxyphenyl)-3-methyl-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione
CID 46949831
7-(2-chlorophenyl)-3-methyl-4-phenyl-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione
CID 51053068
4-(4-fluorophenyl)-7-(3-methoxyphenyl)-3-methyl-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione
CID 46949798
(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
(3R)-1-(3-bromophenyl)-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione
CID 1220420
(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
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

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-phenyl-7-(4-propan-2-yloxyphenyl)-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione?
The IUPAC name of 3-methyl-4-phenyl-7-(4-propan-2-yloxyphenyl)-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione (CID 51053352) is 3-methyl-4-phenyl-7-(4-propan-2-yloxyphenyl)-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione.
What is the SMILES notation for 3-methyl-4-phenyl-7-(4-propan-2-yloxyphenyl)-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione?
The canonical SMILES for 3-methyl-4-phenyl-7-(4-propan-2-yloxyphenyl)-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione is CC(C)Oc1ccc(C2CC(=O)N(c3ccccc3)c3c2sc(=O)n3C)cc1.
What is the InChIKey of 3-methyl-4-phenyl-7-(4-propan-2-yloxyphenyl)-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione?
The InChIKey is GBCPJLPEERTUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-14(2)27-17-11-9-15(10-12-17)18-13-19(25)24(16-7-5-4-6-8-16)21-20(18)28-22(26)23(21)3/h4-12,14,18H,13H2,1-3H3.
What are the key properties of 3-methyl-4-phenyl-7-(4-propan-2-yloxyphenyl)-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione?
3-methyl-4-phenyl-7-(4-propan-2-yloxyphenyl)-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione has a molecular weight of 394.50 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-phenyl-7-(4-propan-2-yloxyphenyl)-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione is sourced from PubChem (CID 51053352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).