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

C13H13FN2O2S — CID 24712651

IUPACN-ethyl-2-[(2-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide
SMILESCCNC(=O)c1csc(COc2ccccc2F)n1
InChIInChI=1S/C13H13FN2O2S/c1-2-15-13(17)10-8-19-12(16-10)7-18-11-6-4-3-5-9(11)14/h3-6,8H,2,7H2,1H3,(H,15,17)
InChIKeyHHSHMEMNVWWXDX-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.61
Rot. Bonds5

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

N-ethyl-2-[(2-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 24712651) has the molecular formula C13H13FN2O2S and a molecular weight of 280.32 g/mol. Its IUPAC name is N-ethyl-2-[(2-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-[(2-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide
PubChem CID24712651
Molecular FormulaC13H13FN2O2S
Molecular Weight280.32 g/mol
Exact Mass280.07
IUPAC NameN-ethyl-2-[(2-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide
SMILESCCNC(=O)c1csc(COc2ccccc2F)n1
InChIInChI=1S/C13H13FN2O2S/c1-2-15-13(17)10-8-19-12(16-10)7-18-11-6-4-3-5-9(11)14/h3-6,8H,2,7H2,1H3,(H,15,17)
InChIKeyHHSHMEMNVWWXDX-UHFFFAOYSA-N
XLogP2.61
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(2-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-ethyl-2-[(2-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide (CID 24712651) is N-ethyl-2-[(2-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-ethyl-2-[(2-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-ethyl-2-[(2-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide is CCNC(=O)c1csc(COc2ccccc2F)n1.
What is the InChIKey of N-ethyl-2-[(2-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is HHSHMEMNVWWXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2S/c1-2-15-13(17)10-8-19-12(16-10)7-18-11-6-4-3-5-9(11)14/h3-6,8H,2,7H2,1H3,(H,15,17).
What are the key properties of N-ethyl-2-[(2-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide?
N-ethyl-2-[(2-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 280.32 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(2-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 24712651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).