N-(oxolan-2-ylmethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine

C14H22N2OS — CID 46784945

IUPACN-(oxolan-2-ylmethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine
SMILESCC(NCC1CCCO1)c1nc2c(s1)CCCC2
InChIInChI=1S/C14H22N2OS/c1-10(15-9-11-5-4-8-17-11)14-16-12-6-2-3-7-13(12)18-14/h10-11,15H,2-9H2,1H3
InChIKeyKMIHSLUMTQZVNL-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.85
Rot. Bonds4

About N-(oxolan-2-ylmethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine

N-(oxolan-2-ylmethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine (PubChem CID 46784945) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine
PubChem CID46784945
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC NameN-(oxolan-2-ylmethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine
SMILESCC(NCC1CCCO1)c1nc2c(s1)CCCC2
InChIInChI=1S/C14H22N2OS/c1-10(15-9-11-5-4-8-17-11)14-16-12-6-2-3-7-13(12)18-14/h10-11,15H,2-9H2,1H3
InChIKeyKMIHSLUMTQZVNL-UHFFFAOYSA-N
XLogP2.85
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(oxolan-2-ylmethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)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 N-(oxolan-2-ylmethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine?
The IUPAC name of N-(oxolan-2-ylmethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine (CID 46784945) is N-(oxolan-2-ylmethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine?
The canonical SMILES for N-(oxolan-2-ylmethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine is CC(NCC1CCCO1)c1nc2c(s1)CCCC2.
What is the InChIKey of N-(oxolan-2-ylmethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine?
The InChIKey is KMIHSLUMTQZVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-10(15-9-11-5-4-8-17-11)14-16-12-6-2-3-7-13(12)18-14/h10-11,15H,2-9H2,1H3.
What are the key properties of N-(oxolan-2-ylmethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine?
N-(oxolan-2-ylmethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine has a molecular weight of 266.41 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine is sourced from PubChem (CID 46784945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).