N-[cyclopentyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]-2-methoxyethanamine

C16H26N2OS — CID 62541901

IUPACN-[cyclopentyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]-2-methoxyethanamine
SMILESCOCCNC(c1nc2c(s1)CCCC2)C1CCCC1
InChIInChI=1S/C16H26N2OS/c1-19-11-10-17-15(12-6-2-3-7-12)16-18-13-8-4-5-9-14(13)20-16/h12,15,17H,2-11H2,1H3
InChIKeyUECAFMDTBBFGFR-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.49
Rot. Bonds6

About N-[cyclopentyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]-2-methoxyethanamine

N-[cyclopentyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]-2-methoxyethanamine (PubChem CID 62541901) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is N-[cyclopentyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[cyclopentyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]-2-methoxyethanamine
PubChem CID62541901
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC NameN-[cyclopentyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]-2-methoxyethanamine
SMILESCOCCNC(c1nc2c(s1)CCCC2)C1CCCC1
InChIInChI=1S/C16H26N2OS/c1-19-11-10-17-15(12-6-2-3-7-12)16-18-13-8-4-5-9-14(13)20-16/h12,15,17H,2-11H2,1H3
InChIKeyUECAFMDTBBFGFR-UHFFFAOYSA-N
XLogP3.49
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[cyclopentyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]-2-methoxyethanamine 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 N-[cyclopentyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[cyclopentyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]-2-methoxyethanamine (CID 62541901) is N-[cyclopentyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[cyclopentyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[cyclopentyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]-2-methoxyethanamine is COCCNC(c1nc2c(s1)CCCC2)C1CCCC1.
What is the InChIKey of N-[cyclopentyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]-2-methoxyethanamine?
The InChIKey is UECAFMDTBBFGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-19-11-10-17-15(12-6-2-3-7-12)16-18-13-8-4-5-9-14(13)20-16/h12,15,17H,2-11H2,1H3.
What are the key properties of N-[cyclopentyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]-2-methoxyethanamine?
N-[cyclopentyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]-2-methoxyethanamine has a molecular weight of 294.46 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopentyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 62541901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).