N-(2-methoxyethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)hexan-1-amine

C16H28N2OS — CID 62541744

IUPACN-(2-methoxyethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)hexan-1-amine
SMILESCCCCCC(NCCOC)c1nc2c(s1)CCCC2
InChIInChI=1S/C16H28N2OS/c1-3-4-5-9-14(17-11-12-19-2)16-18-13-8-6-7-10-15(13)20-16/h14,17H,3-12H2,1-2H3
InChIKeyFDSNCLOGIVIBHB-UHFFFAOYSA-N
MW296.48 g/mol
LogP3.88
Rot. Bonds9

About N-(2-methoxyethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)hexan-1-amine

N-(2-methoxyethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)hexan-1-amine (PubChem CID 62541744) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)hexan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)hexan-1-amine
PubChem CID62541744
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC NameN-(2-methoxyethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)hexan-1-amine
SMILESCCCCCC(NCCOC)c1nc2c(s1)CCCC2
InChIInChI=1S/C16H28N2OS/c1-3-4-5-9-14(17-11-12-19-2)16-18-13-8-6-7-10-15(13)20-16/h14,17H,3-12H2,1-2H3
InChIKeyFDSNCLOGIVIBHB-UHFFFAOYSA-N
XLogP3.88
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)hexan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)hexan-1-amine (CID 62541744) is N-(2-methoxyethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)hexan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)hexan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)hexan-1-amine is CCCCCC(NCCOC)c1nc2c(s1)CCCC2.
What is the InChIKey of N-(2-methoxyethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)hexan-1-amine?
The InChIKey is FDSNCLOGIVIBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS/c1-3-4-5-9-14(17-11-12-19-2)16-18-13-8-6-7-10-15(13)20-16/h14,17H,3-12H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)hexan-1-amine?
N-(2-methoxyethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)hexan-1-amine has a molecular weight of 296.48 g/mol, XLogP of 3.88, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)hexan-1-amine is sourced from PubChem (CID 62541744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).