7-[[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C17H18FN3O2S — CID 9349292

IUPAC7-[[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCN(Cc1ccc(OC)c(F)c1)Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C17H18FN3O2S/c1-3-20(10-12-4-5-15(23-2)14(18)8-12)11-13-9-16(22)21-6-7-24-17(21)19-13/h4-9H,3,10-11H2,1-2H3
InChIKeyNWKWMJCVGKRAGD-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.93
Rot. Bonds6

About 7-[[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 9349292) has the molecular formula C17H18FN3O2S and a molecular weight of 347.42 g/mol. Its IUPAC name is 7-[[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID9349292
Molecular FormulaC17H18FN3O2S
Molecular Weight347.42 g/mol
Exact Mass347.11
IUPAC Name7-[[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCN(Cc1ccc(OC)c(F)c1)Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C17H18FN3O2S/c1-3-20(10-12-4-5-15(23-2)14(18)8-12)11-13-9-16(22)21-6-7-24-17(21)19-13/h4-9H,3,10-11H2,1-2H3
InChIKeyNWKWMJCVGKRAGD-UHFFFAOYSA-N
XLogP2.93
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 9349292) is 7-[[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CCN(Cc1ccc(OC)c(F)c1)Cc1cc(=O)n2ccsc2n1.
What is the InChIKey of 7-[[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is NWKWMJCVGKRAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2S/c1-3-20(10-12-4-5-15(23-2)14(18)8-12)11-13-9-16(22)21-6-7-24-17(21)19-13/h4-9H,3,10-11H2,1-2H3.
What are the key properties of 7-[[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 347.42 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 9349292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).