2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

C15H16N2O2S — CID 65351619

IUPAC2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESNC1CCCc2nc(C3COc4ccccc4O3)sc21
InChIInChI=1S/C15H16N2O2S/c16-9-4-3-5-10-14(9)20-15(17-10)13-8-18-11-6-1-2-7-12(11)19-13/h1-2,6-7,9,13H,3-5,8,16H2
InChIKeyUXLUJWJYCBJLSL-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.99
Rot. Bonds1

About 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (PubChem CID 65351619) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
PubChem CID65351619
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESNC1CCCc2nc(C3COc4ccccc4O3)sc21
InChIInChI=1S/C15H16N2O2S/c16-9-4-3-5-10-14(9)20-15(17-10)13-8-18-11-6-1-2-7-12(11)19-13/h1-2,6-7,9,13H,3-5,8,16H2
InChIKeyUXLUJWJYCBJLSL-UHFFFAOYSA-N
XLogP2.99
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine with MolForge

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Related Compounds

1-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 65352108
2-(3,4-dihydro-2H-chromen-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 65406177
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-iodo-1,3,4-thiadiazole
CID 63383797
2,4-bis(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazole;hydrochloride
CID 2836304
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115422699
2-(furan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62080266
4-(chloromethyl)-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazole
CID 65351203
N-[[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 65351880
4-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,5-triazin-2-amine
CID 65356241
2-(7-bromo-1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62080430
2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 65403635
N-[[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 65351521

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (CID 65351619) is 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is NC1CCCc2nc(C3COc4ccccc4O3)sc21.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The InChIKey is UXLUJWJYCBJLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c16-9-4-3-5-10-14(9)20-15(17-10)13-8-18-11-6-1-2-7-12(11)19-13/h1-2,6-7,9,13H,3-5,8,16H2.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine has a molecular weight of 288.37 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is sourced from PubChem (CID 65351619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).