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

C20H17FN2O3S — CID 46949831

IUPAC7-(4-fluorophenyl)-4-(3-methoxyphenyl)-3-methyl-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione
SMILESCOc1cccc(N2C(=O)CC(c3ccc(F)cc3)c3sc(=O)n(C)c32)c1
InChIInChI=1S/C20H17FN2O3S/c1-22-19-18(27-20(22)25)16(12-6-8-13(21)9-7-12)11-17(24)23(19)14-4-3-5-15(10-14)26-2/h3-10,16H,11H2,1-2H3
InChIKeyAUTOHTYGVIJHBP-UHFFFAOYSA-N
MW384.43 g/mol
LogP3.79
Rot. Bonds3

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

7-(4-fluorophenyl)-4-(3-methoxyphenyl)-3-methyl-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione (PubChem CID 46949831) has the molecular formula C20H17FN2O3S and a molecular weight of 384.43 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-4-(3-methoxyphenyl)-3-methyl-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione.

Molecular Properties

Compound Name7-(4-fluorophenyl)-4-(3-methoxyphenyl)-3-methyl-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione
PubChem CID46949831
Molecular FormulaC20H17FN2O3S
Molecular Weight384.43 g/mol
Exact Mass384.09
IUPAC Name7-(4-fluorophenyl)-4-(3-methoxyphenyl)-3-methyl-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione
SMILESCOc1cccc(N2C(=O)CC(c3ccc(F)cc3)c3sc(=O)n(C)c32)c1
InChIInChI=1S/C20H17FN2O3S/c1-22-19-18(27-20(22)25)16(12-6-8-13(21)9-7-12)11-17(24)23(19)14-4-3-5-15(10-14)26-2/h3-10,16H,11H2,1-2H3
InChIKeyAUTOHTYGVIJHBP-UHFFFAOYSA-N
XLogP3.79
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-4-(3-methoxyphenyl)-3-methyl-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione?
The IUPAC name of 7-(4-fluorophenyl)-4-(3-methoxyphenyl)-3-methyl-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione (CID 46949831) is 7-(4-fluorophenyl)-4-(3-methoxyphenyl)-3-methyl-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione.
What is the SMILES notation for 7-(4-fluorophenyl)-4-(3-methoxyphenyl)-3-methyl-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione?
The canonical SMILES for 7-(4-fluorophenyl)-4-(3-methoxyphenyl)-3-methyl-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione is COc1cccc(N2C(=O)CC(c3ccc(F)cc3)c3sc(=O)n(C)c32)c1.
What is the InChIKey of 7-(4-fluorophenyl)-4-(3-methoxyphenyl)-3-methyl-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione?
The InChIKey is AUTOHTYGVIJHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O3S/c1-22-19-18(27-20(22)25)16(12-6-8-13(21)9-7-12)11-17(24)23(19)14-4-3-5-15(10-14)26-2/h3-10,16H,11H2,1-2H3.
What are the key properties of 7-(4-fluorophenyl)-4-(3-methoxyphenyl)-3-methyl-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione?
7-(4-fluorophenyl)-4-(3-methoxyphenyl)-3-methyl-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione has a molecular weight of 384.43 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-4-(3-methoxyphenyl)-3-methyl-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione is sourced from PubChem (CID 46949831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).