N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide

C21H15F3N2O3S — CID 44916281

IUPACN-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESCCOc1ccc2oc(-c3csc(NC(=O)c4cccc(C(F)(F)F)c4)n3)cc2c1
InChIInChI=1S/C21H15F3N2O3S/c1-2-28-15-6-7-17-13(9-15)10-18(29-17)16-11-30-20(25-16)26-19(27)12-4-3-5-14(8-12)21(22,23)24/h3-11H,2H2,1H3,(H,25,26,27)
InChIKeyNOPHHQHCYNMTHW-UHFFFAOYSA-N
MW432.42 g/mol
LogP6.23
Rot. Bonds5

About N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide

N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide (PubChem CID 44916281) has the molecular formula C21H15F3N2O3S and a molecular weight of 432.42 g/mol. Its IUPAC name is N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide
PubChem CID44916281
Molecular FormulaC21H15F3N2O3S
Molecular Weight432.42 g/mol
Exact Mass432.08
IUPAC NameN-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESCCOc1ccc2oc(-c3csc(NC(=O)c4cccc(C(F)(F)F)c4)n3)cc2c1
InChIInChI=1S/C21H15F3N2O3S/c1-2-28-15-6-7-17-13(9-15)10-18(29-17)16-11-30-20(25-16)26-19(27)12-4-3-5-14(8-12)21(22,23)24/h3-11H,2H2,1H3,(H,25,26,27)
InChIKeyNOPHHQHCYNMTHW-UHFFFAOYSA-N
XLogP6.23
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.42
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide
CID 44916333
N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1,3-benzothiazole-6-carboxamide
CID 44916350
4-cyano-N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]benzamide
CID 44916270
N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1,3-benzoxazole-2-carboxamide
CID 44916427
N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]butanamide
CID 44916334
5-bromo-N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 44916278
N-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 3264457
4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]benzamide
CID 44916302
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 3247994
methyl 2-[3-[[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]phenoxy]acetate
CID 55871510
N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-(4-fluorophenyl)sulfonylbutanamide
CID 44916393
4-ethylsulfanyl-N-[4-(5-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]benzamide
CID 44916198

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide (CID 44916281) is N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide is CCOc1ccc2oc(-c3csc(NC(=O)c4cccc(C(F)(F)F)c4)n3)cc2c1.
What is the InChIKey of N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is NOPHHQHCYNMTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N2O3S/c1-2-28-15-6-7-17-13(9-15)10-18(29-17)16-11-30-20(25-16)26-19(27)12-4-3-5-14(8-12)21(22,23)24/h3-11H,2H2,1H3,(H,25,26,27).
What are the key properties of N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide?
N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 432.42 g/mol, XLogP of 6.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 44916281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).