2-(2-morpholin-4-ylethoxy)-1,3-benzothiazol-5-amine

C13H17N3O2S — CID 71779869

IUPAC2-(2-morpholin-4-ylethoxy)-1,3-benzothiazol-5-amine
SMILESNc1ccc2sc(OCCN3CCOCC3)nc2c1
InChIInChI=1S/C13H17N3O2S/c14-10-1-2-12-11(9-10)15-13(19-12)18-8-5-16-3-6-17-7-4-16/h1-2,9H,3-8,14H2
InChIKeyKHKCZNKSTHKGPV-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.59
Rot. Bonds4

About 2-(2-morpholin-4-ylethoxy)-1,3-benzothiazol-5-amine

2-(2-morpholin-4-ylethoxy)-1,3-benzothiazol-5-amine (PubChem CID 71779869) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylethoxy)-1,3-benzothiazol-5-amine.

Molecular Properties

Compound Name2-(2-morpholin-4-ylethoxy)-1,3-benzothiazol-5-amine
PubChem CID71779869
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC Name2-(2-morpholin-4-ylethoxy)-1,3-benzothiazol-5-amine
SMILESNc1ccc2sc(OCCN3CCOCC3)nc2c1
InChIInChI=1S/C13H17N3O2S/c14-10-1-2-12-11(9-10)15-13(19-12)18-8-5-16-3-6-17-7-4-16/h1-2,9H,3-8,14H2
InChIKeyKHKCZNKSTHKGPV-UHFFFAOYSA-N
XLogP1.59
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-ylethoxy)-1,3-benzothiazol-5-amine?
The IUPAC name of 2-(2-morpholin-4-ylethoxy)-1,3-benzothiazol-5-amine (CID 71779869) is 2-(2-morpholin-4-ylethoxy)-1,3-benzothiazol-5-amine.
What is the SMILES notation for 2-(2-morpholin-4-ylethoxy)-1,3-benzothiazol-5-amine?
The canonical SMILES for 2-(2-morpholin-4-ylethoxy)-1,3-benzothiazol-5-amine is Nc1ccc2sc(OCCN3CCOCC3)nc2c1.
What is the InChIKey of 2-(2-morpholin-4-ylethoxy)-1,3-benzothiazol-5-amine?
The InChIKey is KHKCZNKSTHKGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c14-10-1-2-12-11(9-10)15-13(19-12)18-8-5-16-3-6-17-7-4-16/h1-2,9H,3-8,14H2.
What are the key properties of 2-(2-morpholin-4-ylethoxy)-1,3-benzothiazol-5-amine?
2-(2-morpholin-4-ylethoxy)-1,3-benzothiazol-5-amine has a molecular weight of 279.36 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ylethoxy)-1,3-benzothiazol-5-amine is sourced from PubChem (CID 71779869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).