6-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-1,3-benzothiazol-4-ol

C18H17Cl2N3OS — CID 69279966

IUPAC6-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-1,3-benzothiazol-4-ol
SMILESOc1cc(N2CCN(Cc3cccc(Cl)c3Cl)CC2)cc2scnc12
InChIInChI=1S/C18H17Cl2N3OS/c19-14-3-1-2-12(17(14)20)10-22-4-6-23(7-5-22)13-8-15(24)18-16(9-13)25-11-21-18/h1-3,8-9,11,24H,4-7,10H2
InChIKeyYTPFTAIRGSPXFZ-UHFFFAOYSA-N
MW394.33 g/mol
LogP4.63
Rot. Bonds3

About 6-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-1,3-benzothiazol-4-ol

6-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-1,3-benzothiazol-4-ol (PubChem CID 69279966) has the molecular formula C18H17Cl2N3OS and a molecular weight of 394.33 g/mol. Its IUPAC name is 6-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-1,3-benzothiazol-4-ol.

Molecular Properties

Compound Name6-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-1,3-benzothiazol-4-ol
PubChem CID69279966
Molecular FormulaC18H17Cl2N3OS
Molecular Weight394.33 g/mol
Exact Mass393.05
IUPAC Name6-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-1,3-benzothiazol-4-ol
SMILESOc1cc(N2CCN(Cc3cccc(Cl)c3Cl)CC2)cc2scnc12
InChIInChI=1S/C18H17Cl2N3OS/c19-14-3-1-2-12(17(14)20)10-22-4-6-23(7-5-22)13-8-15(24)18-16(9-13)25-11-21-18/h1-3,8-9,11,24H,4-7,10H2
InChIKeyYTPFTAIRGSPXFZ-UHFFFAOYSA-N
XLogP4.63
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.33
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-1,3-benzothiazol-4-ol?
The IUPAC name of 6-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-1,3-benzothiazol-4-ol (CID 69279966) is 6-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-1,3-benzothiazol-4-ol.
What is the SMILES notation for 6-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-1,3-benzothiazol-4-ol?
The canonical SMILES for 6-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-1,3-benzothiazol-4-ol is Oc1cc(N2CCN(Cc3cccc(Cl)c3Cl)CC2)cc2scnc12.
What is the InChIKey of 6-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-1,3-benzothiazol-4-ol?
The InChIKey is YTPFTAIRGSPXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3OS/c19-14-3-1-2-12(17(14)20)10-22-4-6-23(7-5-22)13-8-15(24)18-16(9-13)25-11-21-18/h1-3,8-9,11,24H,4-7,10H2.
What are the key properties of 6-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-1,3-benzothiazol-4-ol?
6-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-1,3-benzothiazol-4-ol has a molecular weight of 394.33 g/mol, XLogP of 4.63, 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-dichlorophenyl)methyl]piperazin-1-yl]-1,3-benzothiazol-4-ol is sourced from PubChem (CID 69279966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).