2-(2,5-dimethylmorpholin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol

C13H20N2O2S — CID 62753503

IUPAC2-(2,5-dimethylmorpholin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
SMILESCC1CN(c2nc3c(s2)C(O)CCC3)C(C)CO1
InChIInChI=1S/C13H20N2O2S/c1-8-7-17-9(2)6-15(8)13-14-10-4-3-5-11(16)12(10)18-13/h8-9,11,16H,3-7H2,1-2H3
InChIKeyIMULYISLTVAMKC-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.13
Rot. Bonds1

About 2-(2,5-dimethylmorpholin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol

2-(2,5-dimethylmorpholin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (PubChem CID 62753503) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-(2,5-dimethylmorpholin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol.

Molecular Properties

Compound Name2-(2,5-dimethylmorpholin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
PubChem CID62753503
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-(2,5-dimethylmorpholin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
SMILESCC1CN(c2nc3c(s2)C(O)CCC3)C(C)CO1
InChIInChI=1S/C13H20N2O2S/c1-8-7-17-9(2)6-15(8)13-14-10-4-3-5-11(16)12(10)18-13/h8-9,11,16H,3-7H2,1-2H3
InChIKeyIMULYISLTVAMKC-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylmorpholin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The IUPAC name of 2-(2,5-dimethylmorpholin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (CID 62753503) is 2-(2,5-dimethylmorpholin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol.
What is the SMILES notation for 2-(2,5-dimethylmorpholin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The canonical SMILES for 2-(2,5-dimethylmorpholin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol is CC1CN(c2nc3c(s2)C(O)CCC3)C(C)CO1.
What is the InChIKey of 2-(2,5-dimethylmorpholin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The InChIKey is IMULYISLTVAMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-8-7-17-9(2)6-15(8)13-14-10-4-3-5-11(16)12(10)18-13/h8-9,11,16H,3-7H2,1-2H3.
What are the key properties of 2-(2,5-dimethylmorpholin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
2-(2,5-dimethylmorpholin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol has a molecular weight of 268.38 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylmorpholin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol is sourced from PubChem (CID 62753503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).