2-[(2,4-difluorophenoxy)methyl]-N-ethyl-1,3-thiazole-4-carboxamide

C13H12F2N2O2S — CID 24712791

IUPAC2-[(2,4-difluorophenoxy)methyl]-N-ethyl-1,3-thiazole-4-carboxamide
SMILESCCNC(=O)c1csc(COc2ccc(F)cc2F)n1
InChIInChI=1S/C13H12F2N2O2S/c1-2-16-13(18)10-7-20-12(17-10)6-19-11-4-3-8(14)5-9(11)15/h3-5,7H,2,6H2,1H3,(H,16,18)
InChIKeyASWVRCHZGUKYFE-UHFFFAOYSA-N
MW298.31 g/mol
LogP2.75
Rot. Bonds5

About 2-[(2,4-difluorophenoxy)methyl]-N-ethyl-1,3-thiazole-4-carboxamide

2-[(2,4-difluorophenoxy)methyl]-N-ethyl-1,3-thiazole-4-carboxamide (PubChem CID 24712791) has the molecular formula C13H12F2N2O2S and a molecular weight of 298.31 g/mol. Its IUPAC name is 2-[(2,4-difluorophenoxy)methyl]-N-ethyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(2,4-difluorophenoxy)methyl]-N-ethyl-1,3-thiazole-4-carboxamide
PubChem CID24712791
Molecular FormulaC13H12F2N2O2S
Molecular Weight298.31 g/mol
Exact Mass298.06
IUPAC Name2-[(2,4-difluorophenoxy)methyl]-N-ethyl-1,3-thiazole-4-carboxamide
SMILESCCNC(=O)c1csc(COc2ccc(F)cc2F)n1
InChIInChI=1S/C13H12F2N2O2S/c1-2-16-13(18)10-7-20-12(17-10)6-19-11-4-3-8(14)5-9(11)15/h3-5,7H,2,6H2,1H3,(H,16,18)
InChIKeyASWVRCHZGUKYFE-UHFFFAOYSA-N
XLogP2.75
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluorophenoxy)methyl]-N-ethyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(2,4-difluorophenoxy)methyl]-N-ethyl-1,3-thiazole-4-carboxamide (CID 24712791) is 2-[(2,4-difluorophenoxy)methyl]-N-ethyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(2,4-difluorophenoxy)methyl]-N-ethyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(2,4-difluorophenoxy)methyl]-N-ethyl-1,3-thiazole-4-carboxamide is CCNC(=O)c1csc(COc2ccc(F)cc2F)n1.
What is the InChIKey of 2-[(2,4-difluorophenoxy)methyl]-N-ethyl-1,3-thiazole-4-carboxamide?
The InChIKey is ASWVRCHZGUKYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O2S/c1-2-16-13(18)10-7-20-12(17-10)6-19-11-4-3-8(14)5-9(11)15/h3-5,7H,2,6H2,1H3,(H,16,18).
What are the key properties of 2-[(2,4-difluorophenoxy)methyl]-N-ethyl-1,3-thiazole-4-carboxamide?
2-[(2,4-difluorophenoxy)methyl]-N-ethyl-1,3-thiazole-4-carboxamide has a molecular weight of 298.31 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-difluorophenoxy)methyl]-N-ethyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 24712791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).