6-(1,3-benzothiazol-2-yloxy)-N-methyl-N-prop-2-enylhexan-1-amine

C17H24N2OS — CID 57191081

IUPAC6-(1,3-benzothiazol-2-yloxy)-N-methyl-N-prop-2-enylhexan-1-amine
SMILESC=CCN(C)CCCCCCOc1nc2ccccc2s1
InChIInChI=1S/C17H24N2OS/c1-3-12-19(2)13-8-4-5-9-14-20-17-18-15-10-6-7-11-16(15)21-17/h3,6-7,10-11H,1,4-5,8-9,12-14H2,2H3
InChIKeyBPEFONZQZZAURM-UHFFFAOYSA-N
MW304.46 g/mol
LogP4.35
Rot. Bonds10

About 6-(1,3-benzothiazol-2-yloxy)-N-methyl-N-prop-2-enylhexan-1-amine

6-(1,3-benzothiazol-2-yloxy)-N-methyl-N-prop-2-enylhexan-1-amine (PubChem CID 57191081) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 6-(1,3-benzothiazol-2-yloxy)-N-methyl-N-prop-2-enylhexan-1-amine.

Molecular Properties

Compound Name6-(1,3-benzothiazol-2-yloxy)-N-methyl-N-prop-2-enylhexan-1-amine
PubChem CID57191081
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name6-(1,3-benzothiazol-2-yloxy)-N-methyl-N-prop-2-enylhexan-1-amine
SMILESC=CCN(C)CCCCCCOc1nc2ccccc2s1
InChIInChI=1S/C17H24N2OS/c1-3-12-19(2)13-8-4-5-9-14-20-17-18-15-10-6-7-11-16(15)21-17/h3,6-7,10-11H,1,4-5,8-9,12-14H2,2H3
InChIKeyBPEFONZQZZAURM-UHFFFAOYSA-N
XLogP4.35
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(4-Morpholino)thiobenzothiazole
CID 7619
Dithiazanine Iodide
CID 5702697
2-Methylbenzothiazole
CID 8446
3,3'-Diethylthiacarbocyanine iodide
CID 5709759
2-(4-Morpholinyldithio)benzothiazole
CID 7231
2-(2-Benzothiazolyloxy)-N-methyl-N-phenylacetamide
CID 91716
2-Benzothiazolyl diethyldithiocarbamate
CID 7229
N,N-dicyclohexyl-2-benzothiazolesulfenamide
CID 21080
3,3'-Diethylthiatricarbocyanine iodide
CID 5702699
N,N-Diisopropyl-2-benzothiazolesulfenamide
CID 7228
2-Benzothiazolemethanamine
CID 350414
Benzothiazolium, 3-ethyl-2-(5-(3-ethyl-2(3H)-benzothiazolylidene)-1,3-pentadienyl)-, iodide
CID 6433197

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzothiazol-2-yloxy)-N-methyl-N-prop-2-enylhexan-1-amine?
The IUPAC name of 6-(1,3-benzothiazol-2-yloxy)-N-methyl-N-prop-2-enylhexan-1-amine (CID 57191081) is 6-(1,3-benzothiazol-2-yloxy)-N-methyl-N-prop-2-enylhexan-1-amine.
What is the SMILES notation for 6-(1,3-benzothiazol-2-yloxy)-N-methyl-N-prop-2-enylhexan-1-amine?
The canonical SMILES for 6-(1,3-benzothiazol-2-yloxy)-N-methyl-N-prop-2-enylhexan-1-amine is C=CCN(C)CCCCCCOc1nc2ccccc2s1.
What is the InChIKey of 6-(1,3-benzothiazol-2-yloxy)-N-methyl-N-prop-2-enylhexan-1-amine?
The InChIKey is BPEFONZQZZAURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-3-12-19(2)13-8-4-5-9-14-20-17-18-15-10-6-7-11-16(15)21-17/h3,6-7,10-11H,1,4-5,8-9,12-14H2,2H3.
What are the key properties of 6-(1,3-benzothiazol-2-yloxy)-N-methyl-N-prop-2-enylhexan-1-amine?
6-(1,3-benzothiazol-2-yloxy)-N-methyl-N-prop-2-enylhexan-1-amine has a molecular weight of 304.46 g/mol, XLogP of 4.35, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzothiazol-2-yloxy)-N-methyl-N-prop-2-enylhexan-1-amine is sourced from PubChem (CID 57191081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).