2-(4-ethoxy-2-fluorophenyl)-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone

C17H19FN2O2S — CID 129310117

IUPAC2-(4-ethoxy-2-fluorophenyl)-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone
SMILESCCOc1ccc(CC(=O)N2CCc3nc(C)sc3C2)c(F)c1
InChIInChI=1S/C17H19FN2O2S/c1-3-22-13-5-4-12(14(18)9-13)8-17(21)20-7-6-15-16(10-20)23-11(2)19-15/h4-5,9H,3,6-8,10H2,1-2H3
InChIKeyITAHWJGGXFCPFH-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.12
Rot. Bonds4

About 2-(4-ethoxy-2-fluorophenyl)-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone

2-(4-ethoxy-2-fluorophenyl)-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone (PubChem CID 129310117) has the molecular formula C17H19FN2O2S and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-(4-ethoxy-2-fluorophenyl)-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name2-(4-ethoxy-2-fluorophenyl)-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone
PubChem CID129310117
Molecular FormulaC17H19FN2O2S
Molecular Weight334.42 g/mol
Exact Mass334.12
IUPAC Name2-(4-ethoxy-2-fluorophenyl)-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone
SMILESCCOc1ccc(CC(=O)N2CCc3nc(C)sc3C2)c(F)c1
InChIInChI=1S/C17H19FN2O2S/c1-3-22-13-5-4-12(14(18)9-13)8-17(21)20-7-6-15-16(10-20)23-11(2)19-15/h4-5,9H,3,6-8,10H2,1-2H3
InChIKeyITAHWJGGXFCPFH-UHFFFAOYSA-N
XLogP3.12
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-2-fluorophenyl)-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone?
The IUPAC name of 2-(4-ethoxy-2-fluorophenyl)-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone (CID 129310117) is 2-(4-ethoxy-2-fluorophenyl)-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone.
What is the SMILES notation for 2-(4-ethoxy-2-fluorophenyl)-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone?
The canonical SMILES for 2-(4-ethoxy-2-fluorophenyl)-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone is CCOc1ccc(CC(=O)N2CCc3nc(C)sc3C2)c(F)c1.
What is the InChIKey of 2-(4-ethoxy-2-fluorophenyl)-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone?
The InChIKey is ITAHWJGGXFCPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2S/c1-3-22-13-5-4-12(14(18)9-13)8-17(21)20-7-6-15-16(10-20)23-11(2)19-15/h4-5,9H,3,6-8,10H2,1-2H3.
What are the key properties of 2-(4-ethoxy-2-fluorophenyl)-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone?
2-(4-ethoxy-2-fluorophenyl)-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone has a molecular weight of 334.42 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-2-fluorophenyl)-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone is sourced from PubChem (CID 129310117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).