7-[4-(2,4-dichlorophenoxy)piperidin-1-yl]-1,3-benzothiazol-4-ol

C18H16Cl2N2O2S — CID 67274653

IUPAC7-[4-(2,4-dichlorophenoxy)piperidin-1-yl]-1,3-benzothiazol-4-ol
SMILESOc1ccc(N2CCC(Oc3ccc(Cl)cc3Cl)CC2)c2scnc12
InChIInChI=1S/C18H16Cl2N2O2S/c19-11-1-4-16(13(20)9-11)24-12-5-7-22(8-6-12)14-2-3-15(23)17-18(14)25-10-21-17/h1-4,9-10,12,23H,5-8H2
InChIKeyUXBJVSNRDDQIMA-UHFFFAOYSA-N
MW395.31 g/mol
LogP5.36
Rot. Bonds3

About 7-[4-(2,4-dichlorophenoxy)piperidin-1-yl]-1,3-benzothiazol-4-ol

7-[4-(2,4-dichlorophenoxy)piperidin-1-yl]-1,3-benzothiazol-4-ol (PubChem CID 67274653) has the molecular formula C18H16Cl2N2O2S and a molecular weight of 395.31 g/mol. Its IUPAC name is 7-[4-(2,4-dichlorophenoxy)piperidin-1-yl]-1,3-benzothiazol-4-ol.

Molecular Properties

Compound Name7-[4-(2,4-dichlorophenoxy)piperidin-1-yl]-1,3-benzothiazol-4-ol
PubChem CID67274653
Molecular FormulaC18H16Cl2N2O2S
Molecular Weight395.31 g/mol
Exact Mass394.03
IUPAC Name7-[4-(2,4-dichlorophenoxy)piperidin-1-yl]-1,3-benzothiazol-4-ol
SMILESOc1ccc(N2CCC(Oc3ccc(Cl)cc3Cl)CC2)c2scnc12
InChIInChI=1S/C18H16Cl2N2O2S/c19-11-1-4-16(13(20)9-11)24-12-5-7-22(8-6-12)14-2-3-15(23)17-18(14)25-10-21-17/h1-4,9-10,12,23H,5-8H2
InChIKeyUXBJVSNRDDQIMA-UHFFFAOYSA-N
XLogP5.36
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.31
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(2,4-dichlorophenoxy)piperidin-1-yl]-1,3-benzothiazol-4-ol?
The IUPAC name of 7-[4-(2,4-dichlorophenoxy)piperidin-1-yl]-1,3-benzothiazol-4-ol (CID 67274653) is 7-[4-(2,4-dichlorophenoxy)piperidin-1-yl]-1,3-benzothiazol-4-ol.
What is the SMILES notation for 7-[4-(2,4-dichlorophenoxy)piperidin-1-yl]-1,3-benzothiazol-4-ol?
The canonical SMILES for 7-[4-(2,4-dichlorophenoxy)piperidin-1-yl]-1,3-benzothiazol-4-ol is Oc1ccc(N2CCC(Oc3ccc(Cl)cc3Cl)CC2)c2scnc12.
What is the InChIKey of 7-[4-(2,4-dichlorophenoxy)piperidin-1-yl]-1,3-benzothiazol-4-ol?
The InChIKey is UXBJVSNRDDQIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O2S/c19-11-1-4-16(13(20)9-11)24-12-5-7-22(8-6-12)14-2-3-15(23)17-18(14)25-10-21-17/h1-4,9-10,12,23H,5-8H2.
What are the key properties of 7-[4-(2,4-dichlorophenoxy)piperidin-1-yl]-1,3-benzothiazol-4-ol?
7-[4-(2,4-dichlorophenoxy)piperidin-1-yl]-1,3-benzothiazol-4-ol has a molecular weight of 395.31 g/mol, XLogP of 5.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(2,4-dichlorophenoxy)piperidin-1-yl]-1,3-benzothiazol-4-ol is sourced from PubChem (CID 67274653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).