N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1,3-benzothiazol-6-amine

C17H16N2OS — CID 104589197

IUPACN-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1,3-benzothiazol-6-amine
SMILESc1nc2ccc(NCCc3ccc4c(c3)CCO4)cc2s1
InChIInChI=1S/C17H16N2OS/c1-4-16-13(6-8-20-16)9-12(1)5-7-18-14-2-3-15-17(10-14)21-11-19-15/h1-4,9-11,18H,5-8H2
InChIKeyIRROVJGQUFTELX-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.89
Rot. Bonds4

About N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1,3-benzothiazol-6-amine

N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1,3-benzothiazol-6-amine (PubChem CID 104589197) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1,3-benzothiazol-6-amine.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1,3-benzothiazol-6-amine
PubChem CID104589197
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC NameN-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1,3-benzothiazol-6-amine
SMILESc1nc2ccc(NCCc3ccc4c(c3)CCO4)cc2s1
InChIInChI=1S/C17H16N2OS/c1-4-16-13(6-8-20-16)9-12(1)5-7-18-14-2-3-15-17(10-14)21-11-19-15/h1-4,9-11,18H,5-8H2
InChIKeyIRROVJGQUFTELX-UHFFFAOYSA-N
XLogP3.89
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1,3-benzodioxol-5-amine
CID 65431228
4-bromo-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-fluoroaniline
CID 65444846
N-[2-(4-methoxyphenyl)ethyl]-1,3-benzothiazol-6-amine
CID 103731094
N-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-1,3-benzothiazol-6-amine
CID 107804804
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2,6-difluoroaniline
CID 65429911
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2,3,4-trifluoroaniline
CID 65430652
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylpropan-2-amine
CID 64866852
5-bromo-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2,4-difluoroaniline
CID 102853334
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-fluoro-4-(methylsulfonylmethyl)aniline
CID 75521794
5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-2-fluoro-N,N-dimethylbenzamide
CID 75499742
2,6-dichloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-fluoroaniline
CID 83078641
1-bromo-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]propan-2-amine
CID 107859705

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1,3-benzothiazol-6-amine?
The IUPAC name of N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1,3-benzothiazol-6-amine (CID 104589197) is N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1,3-benzothiazol-6-amine.
What is the SMILES notation for N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1,3-benzothiazol-6-amine?
The canonical SMILES for N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1,3-benzothiazol-6-amine is c1nc2ccc(NCCc3ccc4c(c3)CCO4)cc2s1.
What is the InChIKey of N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1,3-benzothiazol-6-amine?
The InChIKey is IRROVJGQUFTELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-4-16-13(6-8-20-16)9-12(1)5-7-18-14-2-3-15-17(10-14)21-11-19-15/h1-4,9-11,18H,5-8H2.
What are the key properties of N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1,3-benzothiazol-6-amine?
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1,3-benzothiazol-6-amine has a molecular weight of 296.40 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1,3-benzothiazol-6-amine is sourced from PubChem (CID 104589197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).