N-ethyl-N-(4-fluorophenyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide

C17H15FN2O2S — CID 134022961

IUPACN-ethyl-N-(4-fluorophenyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide
SMILESCCN(C(=O)c1nc(-c2ccco2)sc1C)c1ccc(F)cc1
InChIInChI=1S/C17H15FN2O2S/c1-3-20(13-8-6-12(18)7-9-13)17(21)15-11(2)23-16(19-15)14-5-4-10-22-14/h4-10H,3H2,1-2H3
InChIKeyFRIYPBOEYXEXMU-UHFFFAOYSA-N
MW330.38 g/mol
LogP4.52
Rot. Bonds4

About N-ethyl-N-(4-fluorophenyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide

N-ethyl-N-(4-fluorophenyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide (PubChem CID 134022961) has the molecular formula C17H15FN2O2S and a molecular weight of 330.38 g/mol. Its IUPAC name is N-ethyl-N-(4-fluorophenyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(4-fluorophenyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide
PubChem CID134022961
Molecular FormulaC17H15FN2O2S
Molecular Weight330.38 g/mol
Exact Mass330.08
IUPAC NameN-ethyl-N-(4-fluorophenyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide
SMILESCCN(C(=O)c1nc(-c2ccco2)sc1C)c1ccc(F)cc1
InChIInChI=1S/C17H15FN2O2S/c1-3-20(13-8-6-12(18)7-9-13)17(21)15-11(2)23-16(19-15)14-5-4-10-22-14/h4-10H,3H2,1-2H3
InChIKeyFRIYPBOEYXEXMU-UHFFFAOYSA-N
XLogP4.52
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-fluorophenyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-ethyl-N-(4-fluorophenyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide (CID 134022961) is N-ethyl-N-(4-fluorophenyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-ethyl-N-(4-fluorophenyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-ethyl-N-(4-fluorophenyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide is CCN(C(=O)c1nc(-c2ccco2)sc1C)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-N-(4-fluorophenyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is FRIYPBOEYXEXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2S/c1-3-20(13-8-6-12(18)7-9-13)17(21)15-11(2)23-16(19-15)14-5-4-10-22-14/h4-10H,3H2,1-2H3.
What are the key properties of N-ethyl-N-(4-fluorophenyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide?
N-ethyl-N-(4-fluorophenyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 330.38 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-fluorophenyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 134022961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).