(2S,6S)-4-(4,6-dichloro-1,3-benzothiazol-2-yl)-2,6-dimethylmorpholine

C13H14Cl2N2OS — CID 6925741

IUPAC(2S,6S)-4-(4,6-dichloro-1,3-benzothiazol-2-yl)-2,6-dimethylmorpholine
SMILESC[C@H]1CN(c2nc3c(Cl)cc(Cl)cc3s2)C[C@H](C)O1
InChIInChI=1S/C13H14Cl2N2OS/c1-7-5-17(6-8(2)18-7)13-16-12-10(15)3-9(14)4-11(12)19-13/h3-4,7-8H,5-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyFFVLNQJCQNJHDD-YUMQZZPRSA-N
MW317.24 g/mol
LogP4.22
Rot. Bonds1

About (2S,6S)-4-(4,6-dichloro-1,3-benzothiazol-2-yl)-2,6-dimethylmorpholine

(2S,6S)-4-(4,6-dichloro-1,3-benzothiazol-2-yl)-2,6-dimethylmorpholine (PubChem CID 6925741) has the molecular formula C13H14Cl2N2OS and a molecular weight of 317.24 g/mol. Its IUPAC name is (2S,6S)-4-(4,6-dichloro-1,3-benzothiazol-2-yl)-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S,6S)-4-(4,6-dichloro-1,3-benzothiazol-2-yl)-2,6-dimethylmorpholine
PubChem CID6925741
Molecular FormulaC13H14Cl2N2OS
Molecular Weight317.24 g/mol
Exact Mass316.02
IUPAC Name(2S,6S)-4-(4,6-dichloro-1,3-benzothiazol-2-yl)-2,6-dimethylmorpholine
SMILESC[C@H]1CN(c2nc3c(Cl)cc(Cl)cc3s2)C[C@H](C)O1
InChIInChI=1S/C13H14Cl2N2OS/c1-7-5-17(6-8(2)18-7)13-16-12-10(15)3-9(14)4-11(12)19-13/h3-4,7-8H,5-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyFFVLNQJCQNJHDD-YUMQZZPRSA-N
XLogP4.22
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.24
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,6S)-4-(4,6-dichloro-1,3-benzothiazol-2-yl)-2,6-dimethylmorpholine?
The IUPAC name of (2S,6S)-4-(4,6-dichloro-1,3-benzothiazol-2-yl)-2,6-dimethylmorpholine (CID 6925741) is (2S,6S)-4-(4,6-dichloro-1,3-benzothiazol-2-yl)-2,6-dimethylmorpholine.
What is the SMILES notation for (2S,6S)-4-(4,6-dichloro-1,3-benzothiazol-2-yl)-2,6-dimethylmorpholine?
The canonical SMILES for (2S,6S)-4-(4,6-dichloro-1,3-benzothiazol-2-yl)-2,6-dimethylmorpholine is C[C@H]1CN(c2nc3c(Cl)cc(Cl)cc3s2)C[C@H](C)O1.
What is the InChIKey of (2S,6S)-4-(4,6-dichloro-1,3-benzothiazol-2-yl)-2,6-dimethylmorpholine?
The InChIKey is FFVLNQJCQNJHDD-YUMQZZPRSA-N. The full InChI is InChI=1S/C13H14Cl2N2OS/c1-7-5-17(6-8(2)18-7)13-16-12-10(15)3-9(14)4-11(12)19-13/h3-4,7-8H,5-6H2,1-2H3/t7-,8-/m0/s1.
What are the key properties of (2S,6S)-4-(4,6-dichloro-1,3-benzothiazol-2-yl)-2,6-dimethylmorpholine?
(2S,6S)-4-(4,6-dichloro-1,3-benzothiazol-2-yl)-2,6-dimethylmorpholine has a molecular weight of 317.24 g/mol, XLogP of 4.22, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-4-(4,6-dichloro-1,3-benzothiazol-2-yl)-2,6-dimethylmorpholine is sourced from PubChem (CID 6925741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).