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

C15H26N2OS — CID 55084546

IUPACN-(2-methoxyethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentan-1-amine
SMILESCCCCC(NCCOC)c1nc2c(s1)CCCC2
InChIInChI=1S/C15H26N2OS/c1-3-4-7-13(16-10-11-18-2)15-17-12-8-5-6-9-14(12)19-15/h13,16H,3-11H2,1-2H3
InChIKeyQERLWMZPNUELBQ-UHFFFAOYSA-N
MW282.45 g/mol
LogP3.49
Rot. Bonds8

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

N-(2-methoxyethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentan-1-amine (PubChem CID 55084546) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentan-1-amine
PubChem CID55084546
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC NameN-(2-methoxyethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentan-1-amine
SMILESCCCCC(NCCOC)c1nc2c(s1)CCCC2
InChIInChI=1S/C15H26N2OS/c1-3-4-7-13(16-10-11-18-2)15-17-12-8-5-6-9-14(12)19-15/h13,16H,3-11H2,1-2H3
InChIKeyQERLWMZPNUELBQ-UHFFFAOYSA-N
XLogP3.49
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 53.49
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)pentan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentan-1-amine (CID 55084546) is N-(2-methoxyethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentan-1-amine is CCCCC(NCCOC)c1nc2c(s1)CCCC2.
What is the InChIKey of N-(2-methoxyethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentan-1-amine?
The InChIKey is QERLWMZPNUELBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-3-4-7-13(16-10-11-18-2)15-17-12-8-5-6-9-14(12)19-15/h13,16H,3-11H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentan-1-amine?
N-(2-methoxyethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentan-1-amine has a molecular weight of 282.45 g/mol, XLogP of 3.49, 8 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)pentan-1-amine is sourced from PubChem (CID 55084546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).