5,5-dimethyl-2-morpholin-4-yl-6,7-dihydro-4H-1,3-benzothiazol-7-ol

C13H20N2O2S — CID 11999035

IUPAC5,5-dimethyl-2-morpholin-4-yl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
SMILESCC1(C)Cc2nc(N3CCOCC3)sc2C(O)C1
InChIInChI=1S/C13H20N2O2S/c1-13(2)7-9-11(10(16)8-13)18-12(14-9)15-3-5-17-6-4-15/h10,16H,3-8H2,1-2H3
InChIKeyJYVRVAJKKGNASE-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.99
Rot. Bonds1

About 5,5-dimethyl-2-morpholin-4-yl-6,7-dihydro-4H-1,3-benzothiazol-7-ol

5,5-dimethyl-2-morpholin-4-yl-6,7-dihydro-4H-1,3-benzothiazol-7-ol (PubChem CID 11999035) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 5,5-dimethyl-2-morpholin-4-yl-6,7-dihydro-4H-1,3-benzothiazol-7-ol.

Molecular Properties

Compound Name5,5-dimethyl-2-morpholin-4-yl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
PubChem CID11999035
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name5,5-dimethyl-2-morpholin-4-yl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
SMILESCC1(C)Cc2nc(N3CCOCC3)sc2C(O)C1
InChIInChI=1S/C13H20N2O2S/c1-13(2)7-9-11(10(16)8-13)18-12(14-9)15-3-5-17-6-4-15/h10,16H,3-8H2,1-2H3
InChIKeyJYVRVAJKKGNASE-UHFFFAOYSA-N
XLogP1.99
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-morpholin-4-yl-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
The IUPAC name of 5,5-dimethyl-2-morpholin-4-yl-6,7-dihydro-4H-1,3-benzothiazol-7-ol (CID 11999035) is 5,5-dimethyl-2-morpholin-4-yl-6,7-dihydro-4H-1,3-benzothiazol-7-ol.
What is the SMILES notation for 5,5-dimethyl-2-morpholin-4-yl-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
The canonical SMILES for 5,5-dimethyl-2-morpholin-4-yl-6,7-dihydro-4H-1,3-benzothiazol-7-ol is CC1(C)Cc2nc(N3CCOCC3)sc2C(O)C1.
What is the InChIKey of 5,5-dimethyl-2-morpholin-4-yl-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
The InChIKey is JYVRVAJKKGNASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-13(2)7-9-11(10(16)8-13)18-12(14-9)15-3-5-17-6-4-15/h10,16H,3-8H2,1-2H3.
What are the key properties of 5,5-dimethyl-2-morpholin-4-yl-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
5,5-dimethyl-2-morpholin-4-yl-6,7-dihydro-4H-1,3-benzothiazol-7-ol has a molecular weight of 268.38 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-morpholin-4-yl-6,7-dihydro-4H-1,3-benzothiazol-7-ol is sourced from PubChem (CID 11999035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).