2-[4-(2,1-benzothiazol-3-yl)piperazin-1-yl]pentan-1-amine

C16H24N4S — CID 66355063

IUPAC2-[4-(2,1-benzothiazol-3-yl)piperazin-1-yl]pentan-1-amine
SMILESCCCC(CN)N1CCN(c2snc3ccccc23)CC1
InChIInChI=1S/C16H24N4S/c1-2-5-13(12-17)19-8-10-20(11-9-19)16-14-6-3-4-7-15(14)18-21-16/h3-4,6-7,13H,2,5,8-12,17H2,1H3
InChIKeyUQWZLMCGMMSFOE-UHFFFAOYSA-N
MW304.46 g/mol
LogP2.55
Rot. Bonds5

About 2-[4-(2,1-benzothiazol-3-yl)piperazin-1-yl]pentan-1-amine

2-[4-(2,1-benzothiazol-3-yl)piperazin-1-yl]pentan-1-amine (PubChem CID 66355063) has the molecular formula C16H24N4S and a molecular weight of 304.46 g/mol. Its IUPAC name is 2-[4-(2,1-benzothiazol-3-yl)piperazin-1-yl]pentan-1-amine.

Molecular Properties

Compound Name2-[4-(2,1-benzothiazol-3-yl)piperazin-1-yl]pentan-1-amine
PubChem CID66355063
Molecular FormulaC16H24N4S
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC Name2-[4-(2,1-benzothiazol-3-yl)piperazin-1-yl]pentan-1-amine
SMILESCCCC(CN)N1CCN(c2snc3ccccc23)CC1
InChIInChI=1S/C16H24N4S/c1-2-5-13(12-17)19-8-10-20(11-9-19)16-14-6-3-4-7-15(14)18-21-16/h3-4,6-7,13H,2,5,8-12,17H2,1H3
InChIKeyUQWZLMCGMMSFOE-UHFFFAOYSA-N
XLogP2.55
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,1-benzothiazol-3-yl)piperazin-1-yl]pentan-1-amine?
The IUPAC name of 2-[4-(2,1-benzothiazol-3-yl)piperazin-1-yl]pentan-1-amine (CID 66355063) is 2-[4-(2,1-benzothiazol-3-yl)piperazin-1-yl]pentan-1-amine.
What is the SMILES notation for 2-[4-(2,1-benzothiazol-3-yl)piperazin-1-yl]pentan-1-amine?
The canonical SMILES for 2-[4-(2,1-benzothiazol-3-yl)piperazin-1-yl]pentan-1-amine is CCCC(CN)N1CCN(c2snc3ccccc23)CC1.
What is the InChIKey of 2-[4-(2,1-benzothiazol-3-yl)piperazin-1-yl]pentan-1-amine?
The InChIKey is UQWZLMCGMMSFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4S/c1-2-5-13(12-17)19-8-10-20(11-9-19)16-14-6-3-4-7-15(14)18-21-16/h3-4,6-7,13H,2,5,8-12,17H2,1H3.
What are the key properties of 2-[4-(2,1-benzothiazol-3-yl)piperazin-1-yl]pentan-1-amine?
2-[4-(2,1-benzothiazol-3-yl)piperazin-1-yl]pentan-1-amine has a molecular weight of 304.46 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,1-benzothiazol-3-yl)piperazin-1-yl]pentan-1-amine is sourced from PubChem (CID 66355063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).