3-(2-ethylcyclopropyl)-7-[(4-fluorophenoxy)methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C19H19FN2O2S — CID 122449355

IUPAC3-(2-ethylcyclopropyl)-7-[(4-fluorophenoxy)methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCC1CC1c1c(C)sc2nc(COc3ccc(F)cc3)cc(=O)n12
InChIInChI=1S/C19H19FN2O2S/c1-3-12-8-16(12)18-11(2)25-19-21-14(9-17(23)22(18)19)10-24-15-6-4-13(20)5-7-15/h4-7,9,12,16H,3,8,10H2,1-2H3
InChIKeyWGFKGZCGZWKAFD-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.30
Rot. Bonds5

About 3-(2-ethylcyclopropyl)-7-[(4-fluorophenoxy)methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

3-(2-ethylcyclopropyl)-7-[(4-fluorophenoxy)methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 122449355) has the molecular formula C19H19FN2O2S and a molecular weight of 358.44 g/mol. Its IUPAC name is 3-(2-ethylcyclopropyl)-7-[(4-fluorophenoxy)methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-(2-ethylcyclopropyl)-7-[(4-fluorophenoxy)methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID122449355
Molecular FormulaC19H19FN2O2S
Molecular Weight358.44 g/mol
Exact Mass358.12
IUPAC Name3-(2-ethylcyclopropyl)-7-[(4-fluorophenoxy)methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCC1CC1c1c(C)sc2nc(COc3ccc(F)cc3)cc(=O)n12
InChIInChI=1S/C19H19FN2O2S/c1-3-12-8-16(12)18-11(2)25-19-21-14(9-17(23)22(18)19)10-24-15-6-4-13(20)5-7-15/h4-7,9,12,16H,3,8,10H2,1-2H3
InChIKeyWGFKGZCGZWKAFD-UHFFFAOYSA-N
XLogP4.30
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 16009341
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CID 16009376
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CID 16009380
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CID 8219762
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CID 16009372
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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylcyclopropyl)-7-[(4-fluorophenoxy)methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 3-(2-ethylcyclopropyl)-7-[(4-fluorophenoxy)methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 122449355) is 3-(2-ethylcyclopropyl)-7-[(4-fluorophenoxy)methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 3-(2-ethylcyclopropyl)-7-[(4-fluorophenoxy)methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 3-(2-ethylcyclopropyl)-7-[(4-fluorophenoxy)methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CCC1CC1c1c(C)sc2nc(COc3ccc(F)cc3)cc(=O)n12.
What is the InChIKey of 3-(2-ethylcyclopropyl)-7-[(4-fluorophenoxy)methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is WGFKGZCGZWKAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2S/c1-3-12-8-16(12)18-11(2)25-19-21-14(9-17(23)22(18)19)10-24-15-6-4-13(20)5-7-15/h4-7,9,12,16H,3,8,10H2,1-2H3.
What are the key properties of 3-(2-ethylcyclopropyl)-7-[(4-fluorophenoxy)methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
3-(2-ethylcyclopropyl)-7-[(4-fluorophenoxy)methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 358.44 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylcyclopropyl)-7-[(4-fluorophenoxy)methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 122449355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).