3-[(4-ethyl-2,3-difluorophenyl)methoxy]-1,2-thiazole-4-carboxamide

C13H12F2N2O2S — CID 141014726

IUPAC3-[(4-ethyl-2,3-difluorophenyl)methoxy]-1,2-thiazole-4-carboxamide
SMILESCCc1ccc(COc2nscc2C(N)=O)c(F)c1F
InChIInChI=1S/C13H12F2N2O2S/c1-2-7-3-4-8(11(15)10(7)14)5-19-13-9(12(16)18)6-20-17-13/h3-4,6H,2,5H2,1H3,(H2,16,18)
InChIKeyJWIWQAXZICUFOL-UHFFFAOYSA-N
MW298.31 g/mol
LogP2.66
Rot. Bonds5

About 3-[(4-ethyl-2,3-difluorophenyl)methoxy]-1,2-thiazole-4-carboxamide

3-[(4-ethyl-2,3-difluorophenyl)methoxy]-1,2-thiazole-4-carboxamide (PubChem CID 141014726) has the molecular formula C13H12F2N2O2S and a molecular weight of 298.31 g/mol. Its IUPAC name is 3-[(4-ethyl-2,3-difluorophenyl)methoxy]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-[(4-ethyl-2,3-difluorophenyl)methoxy]-1,2-thiazole-4-carboxamide
PubChem CID141014726
Molecular FormulaC13H12F2N2O2S
Molecular Weight298.31 g/mol
Exact Mass298.06
IUPAC Name3-[(4-ethyl-2,3-difluorophenyl)methoxy]-1,2-thiazole-4-carboxamide
SMILESCCc1ccc(COc2nscc2C(N)=O)c(F)c1F
InChIInChI=1S/C13H12F2N2O2S/c1-2-7-3-4-8(11(15)10(7)14)5-19-13-9(12(16)18)6-20-17-13/h3-4,6H,2,5H2,1H3,(H2,16,18)
InChIKeyJWIWQAXZICUFOL-UHFFFAOYSA-N
XLogP2.66
TPSA65.21 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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethyl-2,3-difluorophenyl)methoxy]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-[(4-ethyl-2,3-difluorophenyl)methoxy]-1,2-thiazole-4-carboxamide (CID 141014726) is 3-[(4-ethyl-2,3-difluorophenyl)methoxy]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-[(4-ethyl-2,3-difluorophenyl)methoxy]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-[(4-ethyl-2,3-difluorophenyl)methoxy]-1,2-thiazole-4-carboxamide is CCc1ccc(COc2nscc2C(N)=O)c(F)c1F.
What is the InChIKey of 3-[(4-ethyl-2,3-difluorophenyl)methoxy]-1,2-thiazole-4-carboxamide?
The InChIKey is JWIWQAXZICUFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O2S/c1-2-7-3-4-8(11(15)10(7)14)5-19-13-9(12(16)18)6-20-17-13/h3-4,6H,2,5H2,1H3,(H2,16,18).
What are the key properties of 3-[(4-ethyl-2,3-difluorophenyl)methoxy]-1,2-thiazole-4-carboxamide?
3-[(4-ethyl-2,3-difluorophenyl)methoxy]-1,2-thiazole-4-carboxamide has a molecular weight of 298.31 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethyl-2,3-difluorophenyl)methoxy]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 141014726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).