2-(4-benzylpiperazin-1-yl)-1,3-benzothiazole

C18H19N3S — CID 1484933

IUPAC2-(4-benzylpiperazin-1-yl)-1,3-benzothiazole
SMILESc1ccc(CN2CCN(c3nc4ccccc4s3)CC2)cc1
InChIInChI=1S/C18H19N3S/c1-2-6-15(7-3-1)14-20-10-12-21(13-11-20)18-19-16-8-4-5-9-17(16)22-18/h1-9H,10-14H2
InChIKeySNRZSONRAFJJSB-UHFFFAOYSA-N
MW309.44 g/mol
LogP3.62
Rot. Bonds3

About 2-(4-benzylpiperazin-1-yl)-1,3-benzothiazole

2-(4-benzylpiperazin-1-yl)-1,3-benzothiazole (PubChem CID 1484933) has the molecular formula C18H19N3S and a molecular weight of 309.44 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-1,3-benzothiazole
PubChem CID1484933
Molecular FormulaC18H19N3S
Molecular Weight309.44 g/mol
Exact Mass309.13
IUPAC Name2-(4-benzylpiperazin-1-yl)-1,3-benzothiazole
SMILESc1ccc(CN2CCN(c3nc4ccccc4s3)CC2)cc1
InChIInChI=1S/C18H19N3S/c1-2-6-15(7-3-1)14-20-10-12-21(13-11-20)18-19-16-8-4-5-9-17(16)22-18/h1-9H,10-14H2
InChIKeySNRZSONRAFJJSB-UHFFFAOYSA-N
XLogP3.62
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-1,3-benzothiazole?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-1,3-benzothiazole (CID 1484933) is 2-(4-benzylpiperazin-1-yl)-1,3-benzothiazole.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-1,3-benzothiazole?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-1,3-benzothiazole is c1ccc(CN2CCN(c3nc4ccccc4s3)CC2)cc1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-1,3-benzothiazole?
The InChIKey is SNRZSONRAFJJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3S/c1-2-6-15(7-3-1)14-20-10-12-21(13-11-20)18-19-16-8-4-5-9-17(16)22-18/h1-9H,10-14H2.
What are the key properties of 2-(4-benzylpiperazin-1-yl)-1,3-benzothiazole?
2-(4-benzylpiperazin-1-yl)-1,3-benzothiazole has a molecular weight of 309.44 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-1,3-benzothiazole is sourced from PubChem (CID 1484933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).