S-(2-morpholin-4-yl-3H-1,3-benzothiazol-2-yl)thiohydroxylamine

C11H15N3OS2 — CID 23335056

IUPACS-(2-morpholin-4-yl-3H-1,3-benzothiazol-2-yl)thiohydroxylamine
SMILESNSC1(N2CCOCC2)Nc2ccccc2S1
InChIInChI=1S/C11H15N3OS2/c12-17-11(14-5-7-15-8-6-14)13-9-3-1-2-4-10(9)16-11/h1-4,13H,5-8,12H2
InChIKeyMHJJRJQNIOFDOM-UHFFFAOYSA-N
MW269.39 g/mol
LogP1.75
Rot. Bonds2

About S-(2-morpholin-4-yl-3H-1,3-benzothiazol-2-yl)thiohydroxylamine

S-(2-morpholin-4-yl-3H-1,3-benzothiazol-2-yl)thiohydroxylamine (PubChem CID 23335056) has the molecular formula C11H15N3OS2 and a molecular weight of 269.39 g/mol. Its IUPAC name is S-(2-morpholin-4-yl-3H-1,3-benzothiazol-2-yl)thiohydroxylamine.

Molecular Properties

Compound NameS-(2-morpholin-4-yl-3H-1,3-benzothiazol-2-yl)thiohydroxylamine
PubChem CID23335056
Molecular FormulaC11H15N3OS2
Molecular Weight269.39 g/mol
Exact Mass269.07
IUPAC NameS-(2-morpholin-4-yl-3H-1,3-benzothiazol-2-yl)thiohydroxylamine
SMILESNSC1(N2CCOCC2)Nc2ccccc2S1
InChIInChI=1S/C11H15N3OS2/c12-17-11(14-5-7-15-8-6-14)13-9-3-1-2-4-10(9)16-11/h1-4,13H,5-8,12H2
InChIKeyMHJJRJQNIOFDOM-UHFFFAOYSA-N
XLogP1.75
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of S-(2-morpholin-4-yl-3H-1,3-benzothiazol-2-yl)thiohydroxylamine?
The IUPAC name of S-(2-morpholin-4-yl-3H-1,3-benzothiazol-2-yl)thiohydroxylamine (CID 23335056) is S-(2-morpholin-4-yl-3H-1,3-benzothiazol-2-yl)thiohydroxylamine.
What is the SMILES notation for S-(2-morpholin-4-yl-3H-1,3-benzothiazol-2-yl)thiohydroxylamine?
The canonical SMILES for S-(2-morpholin-4-yl-3H-1,3-benzothiazol-2-yl)thiohydroxylamine is NSC1(N2CCOCC2)Nc2ccccc2S1.
What is the InChIKey of S-(2-morpholin-4-yl-3H-1,3-benzothiazol-2-yl)thiohydroxylamine?
The InChIKey is MHJJRJQNIOFDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS2/c12-17-11(14-5-7-15-8-6-14)13-9-3-1-2-4-10(9)16-11/h1-4,13H,5-8,12H2.
What are the key properties of S-(2-morpholin-4-yl-3H-1,3-benzothiazol-2-yl)thiohydroxylamine?
S-(2-morpholin-4-yl-3H-1,3-benzothiazol-2-yl)thiohydroxylamine has a molecular weight of 269.39 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for S-(2-morpholin-4-yl-3H-1,3-benzothiazol-2-yl)thiohydroxylamine is sourced from PubChem (CID 23335056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).