5-fluoro-3-[[2-[1-(2-methylpropoxy)ethyl]-1,3-thiazol-4-yl]methyl]pyrimidin-4-one

C14H18FN3O2S — CID 166235601

IUPAC5-fluoro-3-[[2-[1-(2-methylpropoxy)ethyl]-1,3-thiazol-4-yl]methyl]pyrimidin-4-one
SMILESCC(C)COC(C)c1nc(Cn2cncc(F)c2=O)cs1
InChIInChI=1S/C14H18FN3O2S/c1-9(2)6-20-10(3)13-17-11(7-21-13)5-18-8-16-4-12(15)14(18)19/h4,7-10H,5-6H2,1-3H3
InChIKeyZRGPAPIEBFNGCS-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.62
Rot. Bonds6

About 5-fluoro-3-[[2-[1-(2-methylpropoxy)ethyl]-1,3-thiazol-4-yl]methyl]pyrimidin-4-one

5-fluoro-3-[[2-[1-(2-methylpropoxy)ethyl]-1,3-thiazol-4-yl]methyl]pyrimidin-4-one (PubChem CID 166235601) has the molecular formula C14H18FN3O2S and a molecular weight of 311.38 g/mol. Its IUPAC name is 5-fluoro-3-[[2-[1-(2-methylpropoxy)ethyl]-1,3-thiazol-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-fluoro-3-[[2-[1-(2-methylpropoxy)ethyl]-1,3-thiazol-4-yl]methyl]pyrimidin-4-one
PubChem CID166235601
Molecular FormulaC14H18FN3O2S
Molecular Weight311.38 g/mol
Exact Mass311.11
IUPAC Name5-fluoro-3-[[2-[1-(2-methylpropoxy)ethyl]-1,3-thiazol-4-yl]methyl]pyrimidin-4-one
SMILESCC(C)COC(C)c1nc(Cn2cncc(F)c2=O)cs1
InChIInChI=1S/C14H18FN3O2S/c1-9(2)6-20-10(3)13-17-11(7-21-13)5-18-8-16-4-12(15)14(18)19/h4,7-10H,5-6H2,1-3H3
InChIKeyZRGPAPIEBFNGCS-UHFFFAOYSA-N
XLogP2.62
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[[2-[1-(2-methylpropoxy)ethyl]-1,3-thiazol-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 5-fluoro-3-[[2-[1-(2-methylpropoxy)ethyl]-1,3-thiazol-4-yl]methyl]pyrimidin-4-one (CID 166235601) is 5-fluoro-3-[[2-[1-(2-methylpropoxy)ethyl]-1,3-thiazol-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 5-fluoro-3-[[2-[1-(2-methylpropoxy)ethyl]-1,3-thiazol-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 5-fluoro-3-[[2-[1-(2-methylpropoxy)ethyl]-1,3-thiazol-4-yl]methyl]pyrimidin-4-one is CC(C)COC(C)c1nc(Cn2cncc(F)c2=O)cs1.
What is the InChIKey of 5-fluoro-3-[[2-[1-(2-methylpropoxy)ethyl]-1,3-thiazol-4-yl]methyl]pyrimidin-4-one?
The InChIKey is ZRGPAPIEBFNGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2S/c1-9(2)6-20-10(3)13-17-11(7-21-13)5-18-8-16-4-12(15)14(18)19/h4,7-10H,5-6H2,1-3H3.
What are the key properties of 5-fluoro-3-[[2-[1-(2-methylpropoxy)ethyl]-1,3-thiazol-4-yl]methyl]pyrimidin-4-one?
5-fluoro-3-[[2-[1-(2-methylpropoxy)ethyl]-1,3-thiazol-4-yl]methyl]pyrimidin-4-one has a molecular weight of 311.38 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[[2-[1-(2-methylpropoxy)ethyl]-1,3-thiazol-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 166235601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).