4-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine

C14H15FN2O2S — CID 118310056

IUPAC4-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine
SMILESCOc1cc(F)ccc1-c1csc(N2CCOCC2)n1
InChIInChI=1S/C14H15FN2O2S/c1-18-13-8-10(15)2-3-11(13)12-9-20-14(16-12)17-4-6-19-7-5-17/h2-3,8-9H,4-7H2,1H3
InChIKeyBXSSVHAUFVXKOC-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.79
Rot. Bonds3

About 4-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine

4-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine (PubChem CID 118310056) has the molecular formula C14H15FN2O2S and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine
PubChem CID118310056
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC Name4-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine
SMILESCOc1cc(F)ccc1-c1csc(N2CCOCC2)n1
InChIInChI=1S/C14H15FN2O2S/c1-18-13-8-10(15)2-3-11(13)12-9-20-14(16-12)17-4-6-19-7-5-17/h2-3,8-9H,4-7H2,1H3
InChIKeyBXSSVHAUFVXKOC-UHFFFAOYSA-N
XLogP2.79
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine?
The IUPAC name of 4-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine (CID 118310056) is 4-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine.
What is the SMILES notation for 4-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine?
The canonical SMILES for 4-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine is COc1cc(F)ccc1-c1csc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine?
The InChIKey is BXSSVHAUFVXKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2S/c1-18-13-8-10(15)2-3-11(13)12-9-20-14(16-12)17-4-6-19-7-5-17/h2-3,8-9H,4-7H2,1H3.
What are the key properties of 4-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine?
4-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine has a molecular weight of 294.35 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine is sourced from PubChem (CID 118310056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).