[2-[(2,4-difluorophenoxy)methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone

C15H14F2N2O3S — CID 24712619

IUPAC[2-[(2,4-difluorophenoxy)methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
SMILESO=C(c1csc(COc2ccc(F)cc2F)n1)N1CCOCC1
InChIInChI=1S/C15H14F2N2O3S/c16-10-1-2-13(11(17)7-10)22-8-14-18-12(9-23-14)15(20)19-3-5-21-6-4-19/h1-2,7,9H,3-6,8H2
InChIKeyCLDOYHVNLKTHJK-UHFFFAOYSA-N
MW340.35 g/mol
LogP2.47
Rot. Bonds4

About [2-[(2,4-difluorophenoxy)methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone

[2-[(2,4-difluorophenoxy)methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone (PubChem CID 24712619) has the molecular formula C15H14F2N2O3S and a molecular weight of 340.35 g/mol. Its IUPAC name is [2-[(2,4-difluorophenoxy)methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-[(2,4-difluorophenoxy)methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
PubChem CID24712619
Molecular FormulaC15H14F2N2O3S
Molecular Weight340.35 g/mol
Exact Mass340.07
IUPAC Name[2-[(2,4-difluorophenoxy)methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
SMILESO=C(c1csc(COc2ccc(F)cc2F)n1)N1CCOCC1
InChIInChI=1S/C15H14F2N2O3S/c16-10-1-2-13(11(17)7-10)22-8-14-18-12(9-23-14)15(20)19-3-5-21-6-4-19/h1-2,7,9H,3-6,8H2
InChIKeyCLDOYHVNLKTHJK-UHFFFAOYSA-N
XLogP2.47
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(2,4-difluorophenoxy)methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-[(2,4-difluorophenoxy)methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone (CID 24712619) is [2-[(2,4-difluorophenoxy)methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-[(2,4-difluorophenoxy)methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-[(2,4-difluorophenoxy)methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone is O=C(c1csc(COc2ccc(F)cc2F)n1)N1CCOCC1.
What is the InChIKey of [2-[(2,4-difluorophenoxy)methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone?
The InChIKey is CLDOYHVNLKTHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O3S/c16-10-1-2-13(11(17)7-10)22-8-14-18-12(9-23-14)15(20)19-3-5-21-6-4-19/h1-2,7,9H,3-6,8H2.
What are the key properties of [2-[(2,4-difluorophenoxy)methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone?
[2-[(2,4-difluorophenoxy)methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone has a molecular weight of 340.35 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,4-difluorophenoxy)methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 24712619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).