5,5-dimethyl-2-morpholin-4-yl-4,6-dihydro-1,3-benzothiazole-7-thione

C13H18N2OS2 — CID 11999036

IUPAC5,5-dimethyl-2-morpholin-4-yl-4,6-dihydro-1,3-benzothiazole-7-thione
SMILESCC1(C)CC(=S)c2sc(N3CCOCC3)nc2C1
InChIInChI=1S/C13H18N2OS2/c1-13(2)7-9-11(10(17)8-13)18-12(14-9)15-3-5-16-6-4-15/h3-8H2,1-2H3
InChIKeyFUNLZYNHMKKGTB-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.67
Rot. Bonds1

About 5,5-dimethyl-2-morpholin-4-yl-4,6-dihydro-1,3-benzothiazole-7-thione

5,5-dimethyl-2-morpholin-4-yl-4,6-dihydro-1,3-benzothiazole-7-thione (PubChem CID 11999036) has the molecular formula C13H18N2OS2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 5,5-dimethyl-2-morpholin-4-yl-4,6-dihydro-1,3-benzothiazole-7-thione.

Molecular Properties

Compound Name5,5-dimethyl-2-morpholin-4-yl-4,6-dihydro-1,3-benzothiazole-7-thione
PubChem CID11999036
Molecular FormulaC13H18N2OS2
Molecular Weight282.43 g/mol
Exact Mass282.09
IUPAC Name5,5-dimethyl-2-morpholin-4-yl-4,6-dihydro-1,3-benzothiazole-7-thione
SMILESCC1(C)CC(=S)c2sc(N3CCOCC3)nc2C1
InChIInChI=1S/C13H18N2OS2/c1-13(2)7-9-11(10(17)8-13)18-12(14-9)15-3-5-16-6-4-15/h3-8H2,1-2H3
InChIKeyFUNLZYNHMKKGTB-UHFFFAOYSA-N
XLogP2.67
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-morpholin-4-yl-4,6-dihydro-1,3-benzothiazole-7-thione?
The IUPAC name of 5,5-dimethyl-2-morpholin-4-yl-4,6-dihydro-1,3-benzothiazole-7-thione (CID 11999036) is 5,5-dimethyl-2-morpholin-4-yl-4,6-dihydro-1,3-benzothiazole-7-thione.
What is the SMILES notation for 5,5-dimethyl-2-morpholin-4-yl-4,6-dihydro-1,3-benzothiazole-7-thione?
The canonical SMILES for 5,5-dimethyl-2-morpholin-4-yl-4,6-dihydro-1,3-benzothiazole-7-thione is CC1(C)CC(=S)c2sc(N3CCOCC3)nc2C1.
What is the InChIKey of 5,5-dimethyl-2-morpholin-4-yl-4,6-dihydro-1,3-benzothiazole-7-thione?
The InChIKey is FUNLZYNHMKKGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS2/c1-13(2)7-9-11(10(17)8-13)18-12(14-9)15-3-5-16-6-4-15/h3-8H2,1-2H3.
What are the key properties of 5,5-dimethyl-2-morpholin-4-yl-4,6-dihydro-1,3-benzothiazole-7-thione?
5,5-dimethyl-2-morpholin-4-yl-4,6-dihydro-1,3-benzothiazole-7-thione has a molecular weight of 282.43 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-morpholin-4-yl-4,6-dihydro-1,3-benzothiazole-7-thione is sourced from PubChem (CID 11999036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).