N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5,7-trimethyl-1-benzofuran-2-carboxamide

C21H20N2O3S — CID 18854262

IUPACN-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5,7-trimethyl-1-benzofuran-2-carboxamide
SMILESCCOc1ccc2nc(NC(=O)c3oc4c(C)cc(C)cc4c3C)sc2c1
InChIInChI=1S/C21H20N2O3S/c1-5-25-14-6-7-16-17(10-14)27-21(22-16)23-20(24)19-13(4)15-9-11(2)8-12(3)18(15)26-19/h6-10H,5H2,1-4H3,(H,22,23,24)
InChIKeyZPMNYTODFSSZKW-UHFFFAOYSA-N
MW380.47 g/mol
LogP5.62
Rot. Bonds4

About N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5,7-trimethyl-1-benzofuran-2-carboxamide

N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5,7-trimethyl-1-benzofuran-2-carboxamide (PubChem CID 18854262) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5,7-trimethyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5,7-trimethyl-1-benzofuran-2-carboxamide
PubChem CID18854262
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5,7-trimethyl-1-benzofuran-2-carboxamide
SMILESCCOc1ccc2nc(NC(=O)c3oc4c(C)cc(C)cc4c3C)sc2c1
InChIInChI=1S/C21H20N2O3S/c1-5-25-14-6-7-16-17(10-14)27-21(22-16)23-20(24)19-13(4)15-9-11(2)8-12(3)18(15)26-19/h6-10H,5H2,1-4H3,(H,22,23,24)
InChIKeyZPMNYTODFSSZKW-UHFFFAOYSA-N
XLogP5.62
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.47
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide
CID 2834320
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 7926150
2-(3,5-dimethylphenoxy)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 18854078
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 9124163
3-(6-ethoxy-1,3-benzothiazol-2-yl)-1,1-diethylurea
CID 3926238
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-iodobenzamide
CID 5186892
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(2-oxo-2-phenylacetyl)benzamide
CID 19209994
3-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 23830119
2-(2,6-dimethylphenoxy)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 1020058
2-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 54409195
[4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl] acetate
CID 4626865
5-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 3704578

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5,7-trimethyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5,7-trimethyl-1-benzofuran-2-carboxamide (CID 18854262) is N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5,7-trimethyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5,7-trimethyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5,7-trimethyl-1-benzofuran-2-carboxamide is CCOc1ccc2nc(NC(=O)c3oc4c(C)cc(C)cc4c3C)sc2c1.
What is the InChIKey of N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5,7-trimethyl-1-benzofuran-2-carboxamide?
The InChIKey is ZPMNYTODFSSZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S/c1-5-25-14-6-7-16-17(10-14)27-21(22-16)23-20(24)19-13(4)15-9-11(2)8-12(3)18(15)26-19/h6-10H,5H2,1-4H3,(H,22,23,24).
What are the key properties of N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5,7-trimethyl-1-benzofuran-2-carboxamide?
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5,7-trimethyl-1-benzofuran-2-carboxamide has a molecular weight of 380.47 g/mol, XLogP of 5.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5,7-trimethyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 18854262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).