6-[4-(2,3-dichlorophenoxy)piperidin-1-yl]-1,3-benzothiazol-4-ol

C18H16Cl2N2O2S — CID 67275779

IUPAC6-[4-(2,3-dichlorophenoxy)piperidin-1-yl]-1,3-benzothiazol-4-ol
SMILESOc1cc(N2CCC(Oc3cccc(Cl)c3Cl)CC2)cc2scnc12
InChIInChI=1S/C18H16Cl2N2O2S/c19-13-2-1-3-15(17(13)20)24-12-4-6-22(7-5-12)11-8-14(23)18-16(9-11)25-10-21-18/h1-3,8-10,12,23H,4-7H2
InChIKeyZDZULXKEWBREKQ-UHFFFAOYSA-N
MW395.31 g/mol
LogP5.36
Rot. Bonds3

About 6-[4-(2,3-dichlorophenoxy)piperidin-1-yl]-1,3-benzothiazol-4-ol

6-[4-(2,3-dichlorophenoxy)piperidin-1-yl]-1,3-benzothiazol-4-ol (PubChem CID 67275779) has the molecular formula C18H16Cl2N2O2S and a molecular weight of 395.31 g/mol. Its IUPAC name is 6-[4-(2,3-dichlorophenoxy)piperidin-1-yl]-1,3-benzothiazol-4-ol.

Molecular Properties

Compound Name6-[4-(2,3-dichlorophenoxy)piperidin-1-yl]-1,3-benzothiazol-4-ol
PubChem CID67275779
Molecular FormulaC18H16Cl2N2O2S
Molecular Weight395.31 g/mol
Exact Mass394.03
IUPAC Name6-[4-(2,3-dichlorophenoxy)piperidin-1-yl]-1,3-benzothiazol-4-ol
SMILESOc1cc(N2CCC(Oc3cccc(Cl)c3Cl)CC2)cc2scnc12
InChIInChI=1S/C18H16Cl2N2O2S/c19-13-2-1-3-15(17(13)20)24-12-4-6-22(7-5-12)11-8-14(23)18-16(9-11)25-10-21-18/h1-3,8-10,12,23H,4-7H2
InChIKeyZDZULXKEWBREKQ-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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Related Compounds

6-[4-[4-(1,1,2,2,2-Pentafluoroethoxy)phenoxy]piperidin-1-yl]-1,3-benzothiazol-4-ol
CID 90764790
7-[4-(2,4-Dichlorophenoxy)piperidin-1-yl]-1,3-benzothiazol-4-ol
CID 67274653
4-[4-(3,4,5-Trichlorophenoxy)piperidin-1-yl]-1,3-benzothiazol-5-ol
CID 67274905
5-[4-(4-Chlorophenoxy)piperidin-1-yl]-1,3-benzothiazol-4-ol
CID 67275589
6-[4-[(2,3-Dichlorophenyl)methyl]piperazin-1-yl]-1,3-benzothiazol-4-ol
CID 69279966
N-[(2Z,4Z)-3-chlorohexa-2,4-dien-2-yl]-5-(2-chlorophenoxy)-1,3-benzothiazol-6-amine
CID 155300419
N-(2-chlorocyclohexa-1,3-dien-1-yl)-5-(2-chlorophenoxy)-1,3-benzothiazol-6-amine
CID 155300420
6-[4-(2,3-Dichlorophenoxy)piperidin-1-yl]-1,3-benzothiazole
CID 174513026

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,3-dichlorophenoxy)piperidin-1-yl]-1,3-benzothiazol-4-ol?
The IUPAC name of 6-[4-(2,3-dichlorophenoxy)piperidin-1-yl]-1,3-benzothiazol-4-ol (CID 67275779) is 6-[4-(2,3-dichlorophenoxy)piperidin-1-yl]-1,3-benzothiazol-4-ol.
What is the SMILES notation for 6-[4-(2,3-dichlorophenoxy)piperidin-1-yl]-1,3-benzothiazol-4-ol?
The canonical SMILES for 6-[4-(2,3-dichlorophenoxy)piperidin-1-yl]-1,3-benzothiazol-4-ol is Oc1cc(N2CCC(Oc3cccc(Cl)c3Cl)CC2)cc2scnc12.
What is the InChIKey of 6-[4-(2,3-dichlorophenoxy)piperidin-1-yl]-1,3-benzothiazol-4-ol?
The InChIKey is ZDZULXKEWBREKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O2S/c19-13-2-1-3-15(17(13)20)24-12-4-6-22(7-5-12)11-8-14(23)18-16(9-11)25-10-21-18/h1-3,8-10,12,23H,4-7H2.
What are the key properties of 6-[4-(2,3-dichlorophenoxy)piperidin-1-yl]-1,3-benzothiazol-4-ol?
6-[4-(2,3-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 6-[4-(2,3-dichlorophenoxy)piperidin-1-yl]-1,3-benzothiazol-4-ol is sourced from PubChem (CID 67275779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).