1-[2-(2-fluoro-6-methoxyphenoxy)-5-(methylamino)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one

C20H19FN2O3S — CID 58541417

IUPAC1-[2-(2-fluoro-6-methoxyphenoxy)-5-(methylamino)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one
SMILESCNc1ccc(Oc2c(F)cccc2OC)c(CC(=O)Cc2nccs2)c1
InChIInChI=1S/C20H19FN2O3S/c1-22-14-6-7-17(26-20-16(21)4-3-5-18(20)25-2)13(10-14)11-15(24)12-19-23-8-9-27-19/h3-10,22H,11-12H2,1-2H3
InChIKeyKOFGWQMCPGNIAO-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.48
Rot. Bonds8

About 1-[2-(2-fluoro-6-methoxyphenoxy)-5-(methylamino)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one

1-[2-(2-fluoro-6-methoxyphenoxy)-5-(methylamino)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one (PubChem CID 58541417) has the molecular formula C20H19FN2O3S and a molecular weight of 386.45 g/mol. Its IUPAC name is 1-[2-(2-fluoro-6-methoxyphenoxy)-5-(methylamino)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one.

Molecular Properties

Compound Name1-[2-(2-fluoro-6-methoxyphenoxy)-5-(methylamino)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one
PubChem CID58541417
Molecular FormulaC20H19FN2O3S
Molecular Weight386.45 g/mol
Exact Mass386.11
IUPAC Name1-[2-(2-fluoro-6-methoxyphenoxy)-5-(methylamino)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one
SMILESCNc1ccc(Oc2c(F)cccc2OC)c(CC(=O)Cc2nccs2)c1
InChIInChI=1S/C20H19FN2O3S/c1-22-14-6-7-17(26-20-16(21)4-3-5-18(20)25-2)13(10-14)11-15(24)12-19-23-8-9-27-19/h3-10,22H,11-12H2,1-2H3
InChIKeyKOFGWQMCPGNIAO-UHFFFAOYSA-N
XLogP4.48
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-(2-fluoro-6-methoxyphenoxy)-5-(methylamino)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluoro-6-methoxyphenoxy)-5-(methylamino)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one?
The IUPAC name of 1-[2-(2-fluoro-6-methoxyphenoxy)-5-(methylamino)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one (CID 58541417) is 1-[2-(2-fluoro-6-methoxyphenoxy)-5-(methylamino)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one.
What is the SMILES notation for 1-[2-(2-fluoro-6-methoxyphenoxy)-5-(methylamino)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one?
The canonical SMILES for 1-[2-(2-fluoro-6-methoxyphenoxy)-5-(methylamino)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one is CNc1ccc(Oc2c(F)cccc2OC)c(CC(=O)Cc2nccs2)c1.
What is the InChIKey of 1-[2-(2-fluoro-6-methoxyphenoxy)-5-(methylamino)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one?
The InChIKey is KOFGWQMCPGNIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3S/c1-22-14-6-7-17(26-20-16(21)4-3-5-18(20)25-2)13(10-14)11-15(24)12-19-23-8-9-27-19/h3-10,22H,11-12H2,1-2H3.
What are the key properties of 1-[2-(2-fluoro-6-methoxyphenoxy)-5-(methylamino)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one?
1-[2-(2-fluoro-6-methoxyphenoxy)-5-(methylamino)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one has a molecular weight of 386.45 g/mol, XLogP of 4.48, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluoro-6-methoxyphenoxy)-5-(methylamino)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one is sourced from PubChem (CID 58541417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).