2-methoxy-N-[oxolan-3-yl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine

C15H24N2O2S — CID 62541913

IUPAC2-methoxy-N-[oxolan-3-yl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine
SMILESCOCCNC(c1nc2c(s1)CCCC2)C1CCOC1
InChIInChI=1S/C15H24N2O2S/c1-18-9-7-16-14(11-6-8-19-10-11)15-17-12-4-2-3-5-13(12)20-15/h11,14,16H,2-10H2,1H3
InChIKeyVCUGISCCWSDQGN-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.34
Rot. Bonds6

About 2-methoxy-N-[oxolan-3-yl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine

2-methoxy-N-[oxolan-3-yl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine (PubChem CID 62541913) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-methoxy-N-[oxolan-3-yl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[oxolan-3-yl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine
PubChem CID62541913
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name2-methoxy-N-[oxolan-3-yl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine
SMILESCOCCNC(c1nc2c(s1)CCCC2)C1CCOC1
InChIInChI=1S/C15H24N2O2S/c1-18-9-7-16-14(11-6-8-19-10-11)15-17-12-4-2-3-5-13(12)20-15/h11,14,16H,2-10H2,1H3
InChIKeyVCUGISCCWSDQGN-UHFFFAOYSA-N
XLogP2.34
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-methoxy-N-[oxolan-3-yl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[oxolan-3-yl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[oxolan-3-yl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine (CID 62541913) is 2-methoxy-N-[oxolan-3-yl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[oxolan-3-yl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[oxolan-3-yl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine is COCCNC(c1nc2c(s1)CCCC2)C1CCOC1.
What is the InChIKey of 2-methoxy-N-[oxolan-3-yl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine?
The InChIKey is VCUGISCCWSDQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-18-9-7-16-14(11-6-8-19-10-11)15-17-12-4-2-3-5-13(12)20-15/h11,14,16H,2-10H2,1H3.
What are the key properties of 2-methoxy-N-[oxolan-3-yl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine?
2-methoxy-N-[oxolan-3-yl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine has a molecular weight of 296.44 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[oxolan-3-yl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 62541913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).