N-[2-(1,3-benzothiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine

C18H18N2S — CID 43512900

IUPACN-[2-(1,3-benzothiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine
SMILESc1ccc2c(c1)CC(NCCc1nc3ccccc3s1)C2
InChIInChI=1S/C18H18N2S/c1-2-6-14-12-15(11-13(14)5-1)19-10-9-18-20-16-7-3-4-8-17(16)21-18/h1-8,15,19H,9-12H2
InChIKeyGMNAUKVNUMCEQJ-UHFFFAOYSA-N
MW294.42 g/mol
LogP3.60
Rot. Bonds4

About N-[2-(1,3-benzothiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine

N-[2-(1,3-benzothiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine (PubChem CID 43512900) has the molecular formula C18H18N2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine
PubChem CID43512900
Molecular FormulaC18H18N2S
Molecular Weight294.42 g/mol
Exact Mass294.12
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine
SMILESc1ccc2c(c1)CC(NCCc1nc3ccccc3s1)C2
InChIInChI=1S/C18H18N2S/c1-2-6-14-12-15(11-13(14)5-1)19-10-9-18-20-16-7-3-4-8-17(16)21-18/h1-8,15,19H,9-12H2
InChIKeyGMNAUKVNUMCEQJ-UHFFFAOYSA-N
XLogP3.60
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1,3-benzothiazol-2-yl)ethyl]thian-4-amine
CID 43394930
2-(1,3-benzothiazol-2-yl)-N-(cyclopropylmethyl)ethanamine
CID 43654900
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-cyclohexylethanamine
CID 83961945
ethyl 4-[2-(1,3-benzothiazol-2-yl)ethylamino]piperidine-1-carboxylate
CID 57059005
N'-(1,3-benzothiazol-2-ylmethyl)-N-cyclopropyl-N'-methylethane-1,2-diamine
CID 104631221
2-(1,3-benzothiazol-2-yl)-1-(2,3-dihydro-1H-inden-2-yl)ethanone
CID 79826120
2-[6-(1,3-benzothiazol-2-yl)hexyl]-1,3-benzothiazole
CID 139075943
3-(1,3-benzothiazol-2-yl)-N-cyclopentylpropanamide
CID 9215184
N-[2-(6-fluoro-1,3-benzothiazol-2-yl)ethyl]cyclopropanamine
CID 79148219
N-[2-(1,3-benzothiazol-2-yl)ethyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 50964204
N-(1,3-benzothiazol-2-ylmethyl)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanamine
CID 66396186
3-(1,3-benzothiazol-2-yl)-N-(cyclohexylmethyl)propan-1-amine
CID 83961919

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine (CID 43512900) is N-[2-(1,3-benzothiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine is c1ccc2c(c1)CC(NCCc1nc3ccccc3s1)C2.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine?
The InChIKey is GMNAUKVNUMCEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2S/c1-2-6-14-12-15(11-13(14)5-1)19-10-9-18-20-16-7-3-4-8-17(16)21-18/h1-8,15,19H,9-12H2.
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine?
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine has a molecular weight of 294.42 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 43512900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).