N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-(oxolan-3-yl)ethanamine

C15H20N2OS — CID 115720283

IUPACN-[1-(1,3-benzothiazol-2-yl)ethyl]-1-(oxolan-3-yl)ethanamine
SMILESCC(NC(C)C1CCOC1)c1nc2ccccc2s1
InChIInChI=1S/C15H20N2OS/c1-10(12-7-8-18-9-12)16-11(2)15-17-13-5-3-4-6-14(13)19-15/h3-6,10-12,16H,7-9H2,1-2H3
InChIKeySOZKWOOPFDJXJI-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.37
Rot. Bonds4

About N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-(oxolan-3-yl)ethanamine

N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-(oxolan-3-yl)ethanamine (PubChem CID 115720283) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound NameN-[1-(1,3-benzothiazol-2-yl)ethyl]-1-(oxolan-3-yl)ethanamine
PubChem CID115720283
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC NameN-[1-(1,3-benzothiazol-2-yl)ethyl]-1-(oxolan-3-yl)ethanamine
SMILESCC(NC(C)C1CCOC1)c1nc2ccccc2s1
InChIInChI=1S/C15H20N2OS/c1-10(12-7-8-18-9-12)16-11(2)15-17-13-5-3-4-6-14(13)19-15/h3-6,10-12,16H,7-9H2,1-2H3
InChIKeySOZKWOOPFDJXJI-UHFFFAOYSA-N
XLogP3.37
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-(oxolan-3-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

Related Compounds

N-[(1R)-1-(2-fluorophenyl)ethyl]-1-(oxolan-3-yl)ethanamine
CID 104865494
1-(1,3-benzothiazol-2-yl)-N-(2-cyclopentylethyl)ethanamine
CID 54932145
N-[1-(1,3-benzothiazol-2-yl)ethyl]but-3-yn-2-amine
CID 114414954
N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-thiophen-3-ylethanamine
CID 62841659
(1R)-N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-pyridin-4-ylethanamine
CID 81405707
N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-methylsulfanylpropan-2-amine
CID 115721848
(1S)-N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-thiophen-2-ylethanamine
CID 81398235
N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-pyridin-4-ylethanamine
CID 43181009
(1S)-N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-pyridin-4-ylethanamine
CID 81405873
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(oxolan-3-yl)ethanamine
CID 113483469
2-[1-(1,3-benzothiazol-2-yl)ethylamino]propanamide
CID 43545365
N-[1-(1,3-benzothiazol-2-yl)ethyl]-4-methylpent-1-yn-3-amine
CID 114202107

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-(oxolan-3-yl)ethanamine?
The IUPAC name of N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-(oxolan-3-yl)ethanamine (CID 115720283) is N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-(oxolan-3-yl)ethanamine is CC(NC(C)C1CCOC1)c1nc2ccccc2s1.
What is the InChIKey of N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-(oxolan-3-yl)ethanamine?
The InChIKey is SOZKWOOPFDJXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-10(12-7-8-18-9-12)16-11(2)15-17-13-5-3-4-6-14(13)19-15/h3-6,10-12,16H,7-9H2,1-2H3.
What are the key properties of N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-(oxolan-3-yl)ethanamine?
N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-(oxolan-3-yl)ethanamine has a molecular weight of 276.40 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 115720283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).