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

C14H19N3OS — CID 63231244

IUPAC2-(5-ethyl-2-methylmorpholin-4-yl)-1,3-benzothiazol-6-amine
SMILESCCC1COC(C)CN1c1nc2ccc(N)cc2s1
InChIInChI=1S/C14H19N3OS/c1-3-11-8-18-9(2)7-17(11)14-16-12-5-4-10(15)6-13(12)19-14/h4-6,9,11H,3,7-8,15H2,1-2H3
InChIKeyXLXQZLJVBWYKDC-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.88
Rot. Bonds2

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

2-(5-ethyl-2-methylmorpholin-4-yl)-1,3-benzothiazol-6-amine (PubChem CID 63231244) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-(5-ethyl-2-methylmorpholin-4-yl)-1,3-benzothiazol-6-amine.

Molecular Properties

Compound Name2-(5-ethyl-2-methylmorpholin-4-yl)-1,3-benzothiazol-6-amine
PubChem CID63231244
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name2-(5-ethyl-2-methylmorpholin-4-yl)-1,3-benzothiazol-6-amine
SMILESCCC1COC(C)CN1c1nc2ccc(N)cc2s1
InChIInChI=1S/C14H19N3OS/c1-3-11-8-18-9(2)7-17(11)14-16-12-5-4-10(15)6-13(12)19-14/h4-6,9,11H,3,7-8,15H2,1-2H3
InChIKeyXLXQZLJVBWYKDC-UHFFFAOYSA-N
XLogP2.88
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.88
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-(2,5-dimethylmorpholin-4-yl)-1,3-benzothiazol-6-amine
CID 63230921
2-(2-ethylazepan-1-yl)-1,3-benzothiazol-6-amine
CID 104688859
2-(2-propylpiperidin-1-yl)-1,3-benzothiazol-6-amine
CID 83053118
4-(5-ethyl-2-methylmorpholin-4-yl)-3-fluoroaniline
CID 43578072
4-(6-amino-1,3-benzothiazol-2-yl)-3-ethylpiperazin-2-one
CID 63600268
2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-1,3-benzoxazol-6-amine
CID 79995080
5-(5-ethyl-2-methylmorpholin-4-yl)pyridin-3-amine
CID 104533296
4-(5-ethyl-2-methylmorpholin-4-yl)pyrimidin-2-amine
CID 80795705
3,5-dichloro-6-(5-ethyl-2-methylmorpholin-4-yl)pyridin-2-amine
CID 102756606
[4-tert-butyl-2-(5-ethyl-2-methylmorpholin-4-yl)-1,3-thiazol-5-yl]methanol
CID 62780864
2-(5-ethyl-2-methylmorpholin-4-yl)-5-iodoaniline
CID 66064888
2-[1-(6-amino-1,3-benzothiazol-2-yl)piperidin-2-yl]ethanol
CID 63231116

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2-methylmorpholin-4-yl)-1,3-benzothiazol-6-amine?
The IUPAC name of 2-(5-ethyl-2-methylmorpholin-4-yl)-1,3-benzothiazol-6-amine (CID 63231244) is 2-(5-ethyl-2-methylmorpholin-4-yl)-1,3-benzothiazol-6-amine.
What is the SMILES notation for 2-(5-ethyl-2-methylmorpholin-4-yl)-1,3-benzothiazol-6-amine?
The canonical SMILES for 2-(5-ethyl-2-methylmorpholin-4-yl)-1,3-benzothiazol-6-amine is CCC1COC(C)CN1c1nc2ccc(N)cc2s1.
What is the InChIKey of 2-(5-ethyl-2-methylmorpholin-4-yl)-1,3-benzothiazol-6-amine?
The InChIKey is XLXQZLJVBWYKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-3-11-8-18-9(2)7-17(11)14-16-12-5-4-10(15)6-13(12)19-14/h4-6,9,11H,3,7-8,15H2,1-2H3.
What are the key properties of 2-(5-ethyl-2-methylmorpholin-4-yl)-1,3-benzothiazol-6-amine?
2-(5-ethyl-2-methylmorpholin-4-yl)-1,3-benzothiazol-6-amine has a molecular weight of 277.39 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2-methylmorpholin-4-yl)-1,3-benzothiazol-6-amine is sourced from PubChem (CID 63231244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).