5-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-1,3-benzothiazol-4-ol

C19H19ClN2OS — CID 67274927

IUPAC5-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-1,3-benzothiazol-4-ol
SMILESOc1c(N2CCC(Cc3ccc(Cl)cc3)CC2)ccc2scnc12
InChIInChI=1S/C19H19ClN2OS/c20-15-3-1-13(2-4-15)11-14-7-9-22(10-8-14)16-5-6-17-18(19(16)23)21-12-24-17/h1-6,12,14,23H,7-11H2
InChIKeyZHKBJIRBDIMBJX-UHFFFAOYSA-N
MW358.89 g/mol
LogP5.11
Rot. Bonds3

About 5-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-1,3-benzothiazol-4-ol

5-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-1,3-benzothiazol-4-ol (PubChem CID 67274927) has the molecular formula C19H19ClN2OS and a molecular weight of 358.89 g/mol. Its IUPAC name is 5-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-1,3-benzothiazol-4-ol.

Molecular Properties

Compound Name5-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-1,3-benzothiazol-4-ol
PubChem CID67274927
Molecular FormulaC19H19ClN2OS
Molecular Weight358.89 g/mol
Exact Mass358.09
IUPAC Name5-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-1,3-benzothiazol-4-ol
SMILESOc1c(N2CCC(Cc3ccc(Cl)cc3)CC2)ccc2scnc12
InChIInChI=1S/C19H19ClN2OS/c20-15-3-1-13(2-4-15)11-14-7-9-22(10-8-14)16-5-6-17-18(19(16)23)21-12-24-17/h1-6,12,14,23H,7-11H2
InChIKeyZHKBJIRBDIMBJX-UHFFFAOYSA-N
XLogP5.11
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.89
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-1,3-benzothiazol-4-ol?
The IUPAC name of 5-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-1,3-benzothiazol-4-ol (CID 67274927) is 5-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-1,3-benzothiazol-4-ol.
What is the SMILES notation for 5-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-1,3-benzothiazol-4-ol?
The canonical SMILES for 5-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-1,3-benzothiazol-4-ol is Oc1c(N2CCC(Cc3ccc(Cl)cc3)CC2)ccc2scnc12.
What is the InChIKey of 5-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-1,3-benzothiazol-4-ol?
The InChIKey is ZHKBJIRBDIMBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2OS/c20-15-3-1-13(2-4-15)11-14-7-9-22(10-8-14)16-5-6-17-18(19(16)23)21-12-24-17/h1-6,12,14,23H,7-11H2.
What are the key properties of 5-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-1,3-benzothiazol-4-ol?
5-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-1,3-benzothiazol-4-ol has a molecular weight of 358.89 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-1,3-benzothiazol-4-ol is sourced from PubChem (CID 67274927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).