2-(2,5-dimethylmorpholin-4-yl)-1,3-benzothiazol-6-amine

C13H17N3OS — CID 63230921

IUPAC2-(2,5-dimethylmorpholin-4-yl)-1,3-benzothiazol-6-amine
SMILESCC1CN(c2nc3ccc(N)cc3s2)C(C)CO1
InChIInChI=1S/C13H17N3OS/c1-8-7-17-9(2)6-16(8)13-15-11-4-3-10(14)5-12(11)18-13/h3-5,8-9H,6-7,14H2,1-2H3
InChIKeyLSFWNQIQKSXIMM-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.49
Rot. Bonds1

About 2-(2,5-dimethylmorpholin-4-yl)-1,3-benzothiazol-6-amine

2-(2,5-dimethylmorpholin-4-yl)-1,3-benzothiazol-6-amine (PubChem CID 63230921) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 2-(2,5-dimethylmorpholin-4-yl)-1,3-benzothiazol-6-amine.

Molecular Properties

Compound Name2-(2,5-dimethylmorpholin-4-yl)-1,3-benzothiazol-6-amine
PubChem CID63230921
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name2-(2,5-dimethylmorpholin-4-yl)-1,3-benzothiazol-6-amine
SMILESCC1CN(c2nc3ccc(N)cc3s2)C(C)CO1
InChIInChI=1S/C13H17N3OS/c1-8-7-17-9(2)6-16(8)13-15-11-4-3-10(14)5-12(11)18-13/h3-5,8-9H,6-7,14H2,1-2H3
InChIKeyLSFWNQIQKSXIMM-UHFFFAOYSA-N
XLogP2.49
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.49
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-(5-ethyl-2-methylmorpholin-4-yl)-1,3-benzothiazol-6-amine
CID 63231244
2-(2-propylpiperidin-1-yl)-1,3-benzothiazol-6-amine
CID 83053118
6-[(2,5-dimethylmorpholin-4-yl)methyl]-1,3-benzothiazol-2-amine
CID 65348845
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3-benzothiazol-6-amine
CID 82747618
2-(2-ethylazepan-1-yl)-1,3-benzothiazol-6-amine
CID 104688859
2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-benzothiazol-6-amine
CID 66382584
3-(6-amino-1,3-benzothiazol-2-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 60790908
4-(6-amino-1,3-benzothiazol-2-yl)-3-ethylpiperazin-2-one
CID 63600268
1-(6-amino-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 63231156
1-(6-amino-1,3-benzothiazol-2-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103194538
2-[1-(6-amino-1,3-benzothiazol-2-yl)piperidin-2-yl]ethanol
CID 63231116
2-(2,5-dimethylmorpholin-4-yl)-6-methylpyridin-3-amine
CID 81131827

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylmorpholin-4-yl)-1,3-benzothiazol-6-amine?
The IUPAC name of 2-(2,5-dimethylmorpholin-4-yl)-1,3-benzothiazol-6-amine (CID 63230921) is 2-(2,5-dimethylmorpholin-4-yl)-1,3-benzothiazol-6-amine.
What is the SMILES notation for 2-(2,5-dimethylmorpholin-4-yl)-1,3-benzothiazol-6-amine?
The canonical SMILES for 2-(2,5-dimethylmorpholin-4-yl)-1,3-benzothiazol-6-amine is CC1CN(c2nc3ccc(N)cc3s2)C(C)CO1.
What is the InChIKey of 2-(2,5-dimethylmorpholin-4-yl)-1,3-benzothiazol-6-amine?
The InChIKey is LSFWNQIQKSXIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-8-7-17-9(2)6-16(8)13-15-11-4-3-10(14)5-12(11)18-13/h3-5,8-9H,6-7,14H2,1-2H3.
What are the key properties of 2-(2,5-dimethylmorpholin-4-yl)-1,3-benzothiazol-6-amine?
2-(2,5-dimethylmorpholin-4-yl)-1,3-benzothiazol-6-amine has a molecular weight of 263.37 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylmorpholin-4-yl)-1,3-benzothiazol-6-amine is sourced from PubChem (CID 63230921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).