N-(2-amino-4-ethoxy-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide

C18H15N3O3S — CID 91680637

IUPACN-(2-amino-4-ethoxy-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide
SMILESCCOc1cc(NC(=O)c2cc3ccccc3o2)cc2sc(N)nc12
InChIInChI=1S/C18H15N3O3S/c1-2-23-13-8-11(9-15-16(13)21-18(19)25-15)20-17(22)14-7-10-5-3-4-6-12(10)24-14/h3-9H,2H2,1H3,(H2,19,21)(H,20,22)
InChIKeyDCKGIBAABRXKAF-UHFFFAOYSA-N
MW353.40 g/mol
LogP4.28
Rot. Bonds4

About N-(2-amino-4-ethoxy-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide

N-(2-amino-4-ethoxy-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide (PubChem CID 91680637) has the molecular formula C18H15N3O3S and a molecular weight of 353.40 g/mol. Its IUPAC name is N-(2-amino-4-ethoxy-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-ethoxy-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide
PubChem CID91680637
Molecular FormulaC18H15N3O3S
Molecular Weight353.40 g/mol
Exact Mass353.08
IUPAC NameN-(2-amino-4-ethoxy-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide
SMILESCCOc1cc(NC(=O)c2cc3ccccc3o2)cc2sc(N)nc12
InChIInChI=1S/C18H15N3O3S/c1-2-23-13-8-11(9-15-16(13)21-18(19)25-15)20-17(22)14-7-10-5-3-4-6-12(10)24-14/h3-9H,2H2,1H3,(H2,19,21)(H,20,22)
InChIKeyDCKGIBAABRXKAF-UHFFFAOYSA-N
XLogP4.28
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-amino-4-ethoxy-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide
CID 91680677
N-(1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide
CID 16858046
N-[2-methyl-4-[(3,4,5-triethoxybenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 17117632
N-[(2-ethoxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 53285925
N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
CID 91680626
N-[4-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]phenyl]-1-benzofuran-2-carboxamide
CID 135633703
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 26189226
N-(6-propoxy-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide
CID 19213740
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-1-benzofuran-2-carboxamide
CID 43068293
ethyl 2-(1-benzofuran-2-carbonylamino)-1,3-thiazole-4-carboxylate
CID 2308234
N-[4-(1,3-benzoxazol-2-yl)phenyl]-7-ethoxy-1-benzofuran-2-carboxamide
CID 40888792
N-(2-methyl-1,3-thiazol-5-yl)-1-benzofuran-2-carboxamide
CID 122157547

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-ethoxy-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-amino-4-ethoxy-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide (CID 91680637) is N-(2-amino-4-ethoxy-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-amino-4-ethoxy-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-amino-4-ethoxy-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide is CCOc1cc(NC(=O)c2cc3ccccc3o2)cc2sc(N)nc12.
What is the InChIKey of N-(2-amino-4-ethoxy-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide?
The InChIKey is DCKGIBAABRXKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3S/c1-2-23-13-8-11(9-15-16(13)21-18(19)25-15)20-17(22)14-7-10-5-3-4-6-12(10)24-14/h3-9H,2H2,1H3,(H2,19,21)(H,20,22).
What are the key properties of N-(2-amino-4-ethoxy-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide?
N-(2-amino-4-ethoxy-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide has a molecular weight of 353.40 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-ethoxy-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 91680637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).