2-[4-(2-methoxyphenyl)piperazin-1-yl]-1,3-benzothiazole

C18H19N3OS — CID 10471573

IUPAC2-[4-(2-methoxyphenyl)piperazin-1-yl]-1,3-benzothiazole
SMILESCOc1ccccc1N1CCN(c2nc3ccccc3s2)CC1
InChIInChI=1S/C18H19N3OS/c1-22-16-8-4-3-7-15(16)20-10-12-21(13-11-20)18-19-14-6-2-5-9-17(14)23-18/h2-9H,10-13H2,1H3
InChIKeyFSPUGBPPYQTYLN-UHFFFAOYSA-N
MW325.44 g/mol
LogP3.63
Rot. Bonds3

About 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1,3-benzothiazole

2-[4-(2-methoxyphenyl)piperazin-1-yl]-1,3-benzothiazole (PubChem CID 10471573) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[4-(2-methoxyphenyl)piperazin-1-yl]-1,3-benzothiazole
PubChem CID10471573
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name2-[4-(2-methoxyphenyl)piperazin-1-yl]-1,3-benzothiazole
SMILESCOc1ccccc1N1CCN(c2nc3ccccc3s2)CC1
InChIInChI=1S/C18H19N3OS/c1-22-16-8-4-3-7-15(16)20-10-12-21(13-11-20)18-19-14-6-2-5-9-17(14)23-18/h2-9H,10-13H2,1H3
InChIKeyFSPUGBPPYQTYLN-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 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1,3-benzothiazole?
The IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1,3-benzothiazole (CID 10471573) is 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1,3-benzothiazole.
What is the SMILES notation for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1,3-benzothiazole?
The canonical SMILES for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1,3-benzothiazole is COc1ccccc1N1CCN(c2nc3ccccc3s2)CC1.
What is the InChIKey of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1,3-benzothiazole?
The InChIKey is FSPUGBPPYQTYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-22-16-8-4-3-7-15(16)20-10-12-21(13-11-20)18-19-14-6-2-5-9-17(14)23-18/h2-9H,10-13H2,1H3.
What are the key properties of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1,3-benzothiazole?
2-[4-(2-methoxyphenyl)piperazin-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 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1,3-benzothiazole is sourced from PubChem (CID 10471573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).