[2-(2-fluoro-4-phenylmethoxyphenyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone

C21H19FN2O3S — CID 46066894

IUPAC[2-(2-fluoro-4-phenylmethoxyphenyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
SMILESO=C(c1csc(-c2ccc(OCc3ccccc3)cc2F)n1)N1CCOCC1
InChIInChI=1S/C21H19FN2O3S/c22-18-12-16(27-13-15-4-2-1-3-5-15)6-7-17(18)20-23-19(14-28-20)21(25)24-8-10-26-11-9-24/h1-7,12,14H,8-11,13H2
InChIKeyJFIPFZONLXCUTP-UHFFFAOYSA-N
MW398.46 g/mol
LogP4.00
Rot. Bonds5

About [2-(2-fluoro-4-phenylmethoxyphenyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone

[2-(2-fluoro-4-phenylmethoxyphenyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone (PubChem CID 46066894) has the molecular formula C21H19FN2O3S and a molecular weight of 398.46 g/mol. Its IUPAC name is [2-(2-fluoro-4-phenylmethoxyphenyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-(2-fluoro-4-phenylmethoxyphenyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
PubChem CID46066894
Molecular FormulaC21H19FN2O3S
Molecular Weight398.46 g/mol
Exact Mass398.11
IUPAC Name[2-(2-fluoro-4-phenylmethoxyphenyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
SMILESO=C(c1csc(-c2ccc(OCc3ccccc3)cc2F)n1)N1CCOCC1
InChIInChI=1S/C21H19FN2O3S/c22-18-12-16(27-13-15-4-2-1-3-5-15)6-7-17(18)20-23-19(14-28-20)21(25)24-8-10-26-11-9-24/h1-7,12,14H,8-11,13H2
InChIKeyJFIPFZONLXCUTP-UHFFFAOYSA-N
XLogP4.00
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(2-fluoro-4-phenylmethoxyphenyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-(2-fluoro-4-phenylmethoxyphenyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone (CID 46066894) is [2-(2-fluoro-4-phenylmethoxyphenyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-(2-fluoro-4-phenylmethoxyphenyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-(2-fluoro-4-phenylmethoxyphenyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone is O=C(c1csc(-c2ccc(OCc3ccccc3)cc2F)n1)N1CCOCC1.
What is the InChIKey of [2-(2-fluoro-4-phenylmethoxyphenyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone?
The InChIKey is JFIPFZONLXCUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3S/c22-18-12-16(27-13-15-4-2-1-3-5-15)6-7-17(18)20-23-19(14-28-20)21(25)24-8-10-26-11-9-24/h1-7,12,14H,8-11,13H2.
What are the key properties of [2-(2-fluoro-4-phenylmethoxyphenyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone?
[2-(2-fluoro-4-phenylmethoxyphenyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone has a molecular weight of 398.46 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluoro-4-phenylmethoxyphenyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 46066894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).