2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-1,3-benzothiazole

C23H29N3OS — CID 160888047

IUPAC2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-1,3-benzothiazole
SMILESCOc1ccccc1N1CCN(CCCCCc2nc3ccccc3s2)CC1
InChIInChI=1S/C23H29N3OS/c1-27-21-11-6-5-10-20(21)26-17-15-25(16-18-26)14-8-2-3-13-23-24-19-9-4-7-12-22(19)28-23/h4-7,9-12H,2-3,8,13-18H2,1H3
InChIKeySNXAFBDVQZCECQ-UHFFFAOYSA-N
MW395.57 g/mol
LogP4.84
Rot. Bonds8

About 2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-1,3-benzothiazole

2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-1,3-benzothiazole (PubChem CID 160888047) has the molecular formula C23H29N3OS and a molecular weight of 395.57 g/mol. Its IUPAC name is 2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-1,3-benzothiazole
PubChem CID160888047
Molecular FormulaC23H29N3OS
Molecular Weight395.57 g/mol
Exact Mass395.20
IUPAC Name2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-1,3-benzothiazole
SMILESCOc1ccccc1N1CCN(CCCCCc2nc3ccccc3s2)CC1
InChIInChI=1S/C23H29N3OS/c1-27-21-11-6-5-10-20(21)26-17-15-25(16-18-26)14-8-2-3-13-23-24-19-9-4-7-12-22(19)28-23/h4-7,9-12H,2-3,8,13-18H2,1H3
InChIKeySNXAFBDVQZCECQ-UHFFFAOYSA-N
XLogP4.84
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.57
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylsulfanyl]-1,3-benzothiazole
CID 24949690
2-(1,3-benzothiazol-2-ylmethoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 9034088
5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]-2-methyl-1,3-benzothiazole
CID 146025612
5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]-1,3-benzothiazol-2-amine
CID 155529400
N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]quinolin-2-amine
CID 24805876
2-[6-(1,3-benzothiazol-2-yl)hexyl]-1,3-benzothiazole
CID 139075943
3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
2-(3-piperazin-1-ylpropyl)-1,3-benzothiazole
CID 116999900
4-[4-(2-methoxyphenyl)piperazin-1-yl]butanenitrile
CID 586071
5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-phenyl-1,2-oxazole
CID 22727335
2-[7-[4-(2-methoxyphenyl)piperazin-1-yl]heptyl]isoindole-1,3-dione
CID 139959232
1-(2-methoxyphenyl)-4-pent-4-ynylpiperazine
CID 112548439

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-1,3-benzothiazole?
The IUPAC name of 2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-1,3-benzothiazole (CID 160888047) is 2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-1,3-benzothiazole?
The canonical SMILES for 2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-1,3-benzothiazole is COc1ccccc1N1CCN(CCCCCc2nc3ccccc3s2)CC1.
What is the InChIKey of 2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-1,3-benzothiazole?
The InChIKey is SNXAFBDVQZCECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3OS/c1-27-21-11-6-5-10-20(21)26-17-15-25(16-18-26)14-8-2-3-13-23-24-19-9-4-7-12-22(19)28-23/h4-7,9-12H,2-3,8,13-18H2,1H3.
What are the key properties of 2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-1,3-benzothiazole?
2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-1,3-benzothiazole has a molecular weight of 395.57 g/mol, XLogP of 4.84, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-1,3-benzothiazole is sourced from PubChem (CID 160888047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).