2-(1-benzofuran-3-yl)-1-(1,3-benzothiazol-2-yl)ethanamine

C17H14N2OS — CID 80702671

IUPAC2-(1-benzofuran-3-yl)-1-(1,3-benzothiazol-2-yl)ethanamine
SMILESNC(Cc1coc2ccccc12)c1nc2ccccc2s1
InChIInChI=1S/C17H14N2OS/c18-13(17-19-14-6-2-4-8-16(14)21-17)9-11-10-20-15-7-3-1-5-12(11)15/h1-8,10,13H,9,18H2
InChIKeyKBBNQMWKFZMMJN-UHFFFAOYSA-N
MW294.38 g/mol
LogP4.28
Rot. Bonds3

About 2-(1-benzofuran-3-yl)-1-(1,3-benzothiazol-2-yl)ethanamine

2-(1-benzofuran-3-yl)-1-(1,3-benzothiazol-2-yl)ethanamine (PubChem CID 80702671) has the molecular formula C17H14N2OS and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-(1-benzofuran-3-yl)-1-(1,3-benzothiazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(1-benzofuran-3-yl)-1-(1,3-benzothiazol-2-yl)ethanamine
PubChem CID80702671
Molecular FormulaC17H14N2OS
Molecular Weight294.38 g/mol
Exact Mass294.08
IUPAC Name2-(1-benzofuran-3-yl)-1-(1,3-benzothiazol-2-yl)ethanamine
SMILESNC(Cc1coc2ccccc12)c1nc2ccccc2s1
InChIInChI=1S/C17H14N2OS/c18-13(17-19-14-6-2-4-8-16(14)21-17)9-11-10-20-15-7-3-1-5-12(11)15/h1-8,10,13H,9,18H2
InChIKeyKBBNQMWKFZMMJN-UHFFFAOYSA-N
XLogP4.28
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-benzothiazol-2-yl)-2-thiophen-2-ylethanamine
CID 43314623
1-(1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)ethanamine
CID 43314632
1-(1,3-benzothiazol-2-yl)-2-(4-bromophenyl)ethanamine
CID 43314644
1-amino-3-(1-benzofuran-3-yl)propan-2-ol
CID 116859204
1-(1,3-benzothiazol-2-yl)-2-[4-(difluoromethyl)phenyl]ethanamine
CID 115524719
1-(1,3-benzothiazol-2-yl)-3,3,3-trifluoropropan-1-amine
CID 82384630
1-(1,3-benzothiazol-2-yl)-2-(3-methylthiophen-2-yl)ethanamine
CID 43314618
1-(1,3-benzothiazol-2-yl)-3-phenylbutan-1-amine
CID 61100465
1-(1,3-benzothiazol-2-yl)prop-2-en-1-amine
CID 67137210
1-(1,3-benzothiazol-2-yl)-2-(3-but-1-ynylphenyl)ethanamine
CID 168913459
2-amino-3-(1-benzofuran-3-yl)propanamide
CID 116850913
2-benzo[e][1]benzofuran-1-yl-N-(1,3-benzothiazol-2-ylmethyl)acetamide
CID 18110573

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-3-yl)-1-(1,3-benzothiazol-2-yl)ethanamine?
The IUPAC name of 2-(1-benzofuran-3-yl)-1-(1,3-benzothiazol-2-yl)ethanamine (CID 80702671) is 2-(1-benzofuran-3-yl)-1-(1,3-benzothiazol-2-yl)ethanamine.
What is the SMILES notation for 2-(1-benzofuran-3-yl)-1-(1,3-benzothiazol-2-yl)ethanamine?
The canonical SMILES for 2-(1-benzofuran-3-yl)-1-(1,3-benzothiazol-2-yl)ethanamine is NC(Cc1coc2ccccc12)c1nc2ccccc2s1.
What is the InChIKey of 2-(1-benzofuran-3-yl)-1-(1,3-benzothiazol-2-yl)ethanamine?
The InChIKey is KBBNQMWKFZMMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2OS/c18-13(17-19-14-6-2-4-8-16(14)21-17)9-11-10-20-15-7-3-1-5-12(11)15/h1-8,10,13H,9,18H2.
What are the key properties of 2-(1-benzofuran-3-yl)-1-(1,3-benzothiazol-2-yl)ethanamine?
2-(1-benzofuran-3-yl)-1-(1,3-benzothiazol-2-yl)ethanamine has a molecular weight of 294.38 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-3-yl)-1-(1,3-benzothiazol-2-yl)ethanamine is sourced from PubChem (CID 80702671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).