2-morpholin-4-yl-1,3-benzothiazol-6-amine

C11H13N3OS — CID 2608752

IUPAC2-morpholin-4-yl-1,3-benzothiazol-6-amine
SMILESNc1ccc2nc(N3CCOCC3)sc2c1
InChIInChI=1S/C11H13N3OS/c12-8-1-2-9-10(7-8)16-11(13-9)14-3-5-15-6-4-14/h1-2,7H,3-6,12H2
InChIKeyXNMBVXZHRNOPKG-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.72
Rot. Bonds1

About 2-morpholin-4-yl-1,3-benzothiazol-6-amine

2-morpholin-4-yl-1,3-benzothiazol-6-amine (PubChem CID 2608752) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 2-morpholin-4-yl-1,3-benzothiazol-6-amine.

Molecular Properties

Compound Name2-morpholin-4-yl-1,3-benzothiazol-6-amine
PubChem CID2608752
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name2-morpholin-4-yl-1,3-benzothiazol-6-amine
SMILESNc1ccc2nc(N3CCOCC3)sc2c1
InChIInChI=1S/C11H13N3OS/c12-8-1-2-9-10(7-8)16-11(13-9)14-3-5-15-6-4-14/h1-2,7H,3-6,12H2
InChIKeyXNMBVXZHRNOPKG-UHFFFAOYSA-N
XLogP1.72
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-Morpholino)thiobenzothiazole
CID 7619
2-(4-Morpholinyldithio)benzothiazole
CID 7231
2,6-Benzothiazolediamine
CID 21504
2-Piperazin-1-yl-1,3-benzothiazole
CID 592122
2-(4-Morpholinyl)benzothiazole
CID 77901
N-(2-amino-1,3-benzothiazol-6-yl)acetamide
CID 231904
2-(6-Aminobenzothiazol-2-ylthio)-1-morpholin-4-ylethan-1-one
CID 728689
N-((tetrahydrofuran-2-yl)methyl)benzo[d]thiazol-2-amine
CID 3761548
2-Pyrrolidin-1-yl-1,3-benzothiazol-6-amine
CID 16227313
N-Ethyl-2-benzothiazolamine
CID 34201
4-(1,3-benzothiazol-2-yl)-N-butylpiperazine-1-carbothioamide
CID 3191992
4-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)piperazine-1-carbothioamide
CID 3191997

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-1,3-benzothiazol-6-amine?
The IUPAC name of 2-morpholin-4-yl-1,3-benzothiazol-6-amine (CID 2608752) is 2-morpholin-4-yl-1,3-benzothiazol-6-amine.
What is the SMILES notation for 2-morpholin-4-yl-1,3-benzothiazol-6-amine?
The canonical SMILES for 2-morpholin-4-yl-1,3-benzothiazol-6-amine is Nc1ccc2nc(N3CCOCC3)sc2c1.
What is the InChIKey of 2-morpholin-4-yl-1,3-benzothiazol-6-amine?
The InChIKey is XNMBVXZHRNOPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c12-8-1-2-9-10(7-8)16-11(13-9)14-3-5-15-6-4-14/h1-2,7H,3-6,12H2.
What are the key properties of 2-morpholin-4-yl-1,3-benzothiazol-6-amine?
2-morpholin-4-yl-1,3-benzothiazol-6-amine has a molecular weight of 235.31 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-1,3-benzothiazol-6-amine is sourced from PubChem (CID 2608752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).