4-methoxy-2-(4-phenylpiperazin-1-yl)-1,3-benzothiazole

C18H19N3OS — CID 7086362

IUPAC4-methoxy-2-(4-phenylpiperazin-1-yl)-1,3-benzothiazole
SMILESCOc1cccc2sc(N3CCN(c4ccccc4)CC3)nc12
InChIInChI=1S/C18H19N3OS/c1-22-15-8-5-9-16-17(15)19-18(23-16)21-12-10-20(11-13-21)14-6-3-2-4-7-14/h2-9H,10-13H2,1H3
InChIKeyRFCHSKBUZZSRCX-UHFFFAOYSA-N
MW325.44 g/mol
LogP3.63
Rot. Bonds3

About 4-methoxy-2-(4-phenylpiperazin-1-yl)-1,3-benzothiazole

4-methoxy-2-(4-phenylpiperazin-1-yl)-1,3-benzothiazole (PubChem CID 7086362) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is 4-methoxy-2-(4-phenylpiperazin-1-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name4-methoxy-2-(4-phenylpiperazin-1-yl)-1,3-benzothiazole
PubChem CID7086362
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name4-methoxy-2-(4-phenylpiperazin-1-yl)-1,3-benzothiazole
SMILESCOc1cccc2sc(N3CCN(c4ccccc4)CC3)nc12
InChIInChI=1S/C18H19N3OS/c1-22-15-8-5-9-16-17(15)19-18(23-16)21-12-10-20(11-13-21)14-6-3-2-4-7-14/h2-9H,10-13H2,1H3
InChIKeyRFCHSKBUZZSRCX-UHFFFAOYSA-N
XLogP3.63
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(4-phenylpiperazin-1-yl)-1,3-benzothiazole?
The IUPAC name of 4-methoxy-2-(4-phenylpiperazin-1-yl)-1,3-benzothiazole (CID 7086362) is 4-methoxy-2-(4-phenylpiperazin-1-yl)-1,3-benzothiazole.
What is the SMILES notation for 4-methoxy-2-(4-phenylpiperazin-1-yl)-1,3-benzothiazole?
The canonical SMILES for 4-methoxy-2-(4-phenylpiperazin-1-yl)-1,3-benzothiazole is COc1cccc2sc(N3CCN(c4ccccc4)CC3)nc12.
What is the InChIKey of 4-methoxy-2-(4-phenylpiperazin-1-yl)-1,3-benzothiazole?
The InChIKey is RFCHSKBUZZSRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-22-15-8-5-9-16-17(15)19-18(23-16)21-12-10-20(11-13-21)14-6-3-2-4-7-14/h2-9H,10-13H2,1H3.
What are the key properties of 4-methoxy-2-(4-phenylpiperazin-1-yl)-1,3-benzothiazole?
4-methoxy-2-(4-phenylpiperazin-1-yl)-1,3-benzothiazole has a molecular weight of 325.44 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(4-phenylpiperazin-1-yl)-1,3-benzothiazole is sourced from PubChem (CID 7086362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).