N-(1,3-benzothiazol-2-ylmethyl)morpholin-4-amine

C12H15N3OS — CID 83020838

IUPACN-(1,3-benzothiazol-2-ylmethyl)morpholin-4-amine
SMILESc1ccc2sc(CNN3CCOCC3)nc2c1
InChIInChI=1S/C12H15N3OS/c1-2-4-11-10(3-1)14-12(17-11)9-13-15-5-7-16-8-6-15/h1-4,13H,5-9H2
InChIKeyAWKUXIUDJMKWLI-UHFFFAOYSA-N
MW249.34 g/mol
LogP1.63
Rot. Bonds3

About N-(1,3-benzothiazol-2-ylmethyl)morpholin-4-amine

N-(1,3-benzothiazol-2-ylmethyl)morpholin-4-amine (PubChem CID 83020838) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)morpholin-4-amine.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)morpholin-4-amine
PubChem CID83020838
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)morpholin-4-amine
SMILESc1ccc2sc(CNN3CCOCC3)nc2c1
InChIInChI=1S/C12H15N3OS/c1-2-4-11-10(3-1)14-12(17-11)9-13-15-5-7-16-8-6-15/h1-4,13H,5-9H2
InChIKeyAWKUXIUDJMKWLI-UHFFFAOYSA-N
XLogP1.63
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,3-benzothiazol-2-ylmethyl)morpholin-4-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-(1,3-benzothiazol-2-ylmethyl)pyrrol-1-amine
CID 79100724
N-[(5-pyridin-2-yl-1,3-thiazol-2-yl)methyl]morpholin-4-amine
CID 53273506
N-(1,3-benzothiazol-2-ylmethyl)heptan-4-amine
CID 29275051
N-(1,3-benzothiazol-2-ylmethyl)-2-methyl-1-phenylpropan-1-amine
CID 43226409
4-(1,3-benzothiazol-2-yl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]butanamide
CID 27887204
3-[1-(1,3-benzothiazol-2-ylmethylamino)ethyl]phenol
CID 43204573
N-[2-(1,3-benzothiazol-2-yl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 9023745
5-(1,3-benzothiazol-2-yl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]pentanamide
CID 9481603
4-(1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)butanamide
CID 51155972
N-(1,3-benzothiazol-2-ylmethyl)-1-ethylpiperidin-4-amine
CID 28665108
N-(1,3-benzothiazol-2-ylmethyl)-1-cyclopentylethanamine
CID 62632788
4-(1,3-benzothiazol-2-ylsulfanyl)morpholine;sulfane
CID 163844659

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)morpholin-4-amine?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)morpholin-4-amine (CID 83020838) is N-(1,3-benzothiazol-2-ylmethyl)morpholin-4-amine.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)morpholin-4-amine?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)morpholin-4-amine is c1ccc2sc(CNN3CCOCC3)nc2c1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)morpholin-4-amine?
The InChIKey is AWKUXIUDJMKWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-2-4-11-10(3-1)14-12(17-11)9-13-15-5-7-16-8-6-15/h1-4,13H,5-9H2.
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)morpholin-4-amine?
N-(1,3-benzothiazol-2-ylmethyl)morpholin-4-amine has a molecular weight of 249.34 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)morpholin-4-amine is sourced from PubChem (CID 83020838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).