2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol

C11H16N2O2S — CID 59862519

IUPAC2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
SMILESOC1CCCc2nc(N3CCOCC3)sc21
InChIInChI=1S/C11H16N2O2S/c14-9-3-1-2-8-10(9)16-11(12-8)13-4-6-15-7-5-13/h9,14H,1-7H2
InChIKeyRXFCXQWSOISYRI-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.35
Rot. Bonds1

About 2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol

2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (PubChem CID 59862519) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol.

Molecular Properties

Compound Name2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
PubChem CID59862519
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
SMILESOC1CCCc2nc(N3CCOCC3)sc21
InChIInChI=1S/C11H16N2O2S/c14-9-3-1-2-8-10(9)16-11(12-8)13-4-6-15-7-5-13/h9,14H,1-7H2
InChIKeyRXFCXQWSOISYRI-UHFFFAOYSA-N
XLogP1.35
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The IUPAC name of 2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (CID 59862519) is 2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol.
What is the SMILES notation for 2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The canonical SMILES for 2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol is OC1CCCc2nc(N3CCOCC3)sc21.
What is the InChIKey of 2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The InChIKey is RXFCXQWSOISYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c14-9-3-1-2-8-10(9)16-11(12-8)13-4-6-15-7-5-13/h9,14H,1-7H2.
What are the key properties of 2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol has a molecular weight of 240.33 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol is sourced from PubChem (CID 59862519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).