N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-methoxypropan-2-amine

C13H18N2OS — CID 43177919

IUPACN-[1-(1,3-benzothiazol-2-yl)ethyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NC(C)c1nc2ccccc2s1
InChIInChI=1S/C13H18N2OS/c1-9(8-16-3)14-10(2)13-15-11-6-4-5-7-12(11)17-13/h4-7,9-10,14H,8H2,1-3H3
InChIKeyYQLXKVXIHDMVNJ-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.98
Rot. Bonds5

About N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-methoxypropan-2-amine

N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-methoxypropan-2-amine (PubChem CID 43177919) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-methoxypropan-2-amine.

Molecular Properties

Compound NameN-[1-(1,3-benzothiazol-2-yl)ethyl]-1-methoxypropan-2-amine
PubChem CID43177919
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC NameN-[1-(1,3-benzothiazol-2-yl)ethyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NC(C)c1nc2ccccc2s1
InChIInChI=1S/C13H18N2OS/c1-9(8-16-3)14-10(2)13-15-11-6-4-5-7-12(11)17-13/h4-7,9-10,14H,8H2,1-3H3
InChIKeyYQLXKVXIHDMVNJ-UHFFFAOYSA-N
XLogP2.98
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-methoxypropan-2-amine 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-[1-(1,3-benzothiazol-2-yl)ethyl]-1-methylsulfanylpropan-2-amine
CID 115721848
1-(1,3-benzothiazol-2-yl)-N-[2-(2-methylpropoxy)ethyl]ethanamine
CID 115713749
3-[1-(1,3-benzothiazol-2-yl)ethylamino]pentan-1-ol
CID 115723090
N-[1-(1,3-benzothiazol-2-yl)ethyl]but-3-yn-2-amine
CID 114414954
N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-pyridin-4-ylethanamine
CID 43181009
(1S)-N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-thiophen-2-ylethanamine
CID 81398235
(1R)-N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-pyridin-4-ylethanamine
CID 81405707
(1S)-N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-pyridin-4-ylethanamine
CID 81405873
2-N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61477091
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
(1S)-N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-(2-chlorophenyl)ethanamine
CID 81374029

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-methoxypropan-2-amine?
The IUPAC name of N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-methoxypropan-2-amine (CID 43177919) is N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-methoxypropan-2-amine.
What is the SMILES notation for N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-methoxypropan-2-amine?
The canonical SMILES for N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-methoxypropan-2-amine is COCC(C)NC(C)c1nc2ccccc2s1.
What is the InChIKey of N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-methoxypropan-2-amine?
The InChIKey is YQLXKVXIHDMVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-9(8-16-3)14-10(2)13-15-11-6-4-5-7-12(11)17-13/h4-7,9-10,14H,8H2,1-3H3.
What are the key properties of N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-methoxypropan-2-amine?
N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-methoxypropan-2-amine has a molecular weight of 250.37 g/mol, XLogP of 2.98, 5 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-methoxypropan-2-amine is sourced from PubChem (CID 43177919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).