2-(3-piperazin-1-ylpropyl)-1,3-benzothiazole

C14H19N3S — CID 116999900

IUPAC2-(3-piperazin-1-ylpropyl)-1,3-benzothiazole
SMILESc1ccc2sc(CCCN3CCNCC3)nc2c1
InChIInChI=1S/C14H19N3S/c1-2-5-13-12(4-1)16-14(18-13)6-3-9-17-10-7-15-8-11-17/h1-2,4-5,15H,3,6-11H2
InChIKeyASJVUJUBJVOUCQ-UHFFFAOYSA-N
MW261.39 g/mol
LogP2.13
Rot. Bonds4

About 2-(3-piperazin-1-ylpropyl)-1,3-benzothiazole

2-(3-piperazin-1-ylpropyl)-1,3-benzothiazole (PubChem CID 116999900) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 2-(3-piperazin-1-ylpropyl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-(3-piperazin-1-ylpropyl)-1,3-benzothiazole
PubChem CID116999900
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name2-(3-piperazin-1-ylpropyl)-1,3-benzothiazole
SMILESc1ccc2sc(CCCN3CCNCC3)nc2c1
InChIInChI=1S/C14H19N3S/c1-2-5-13-12(4-1)16-14(18-13)6-3-9-17-10-7-15-8-11-17/h1-2,4-5,15H,3,6-11H2
InChIKeyASJVUJUBJVOUCQ-UHFFFAOYSA-N
XLogP2.13
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-(1,3-benzothiazol-2-yl)hexyl]-1,3-benzothiazole
CID 139075943
2-[3-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]propyl]-1,3-benzothiazole
CID 164937985
2-[2-(4-ethylpiperidin-1-yl)ethyl]-1,3-benzothiazole
CID 22989637
2-[3-[4-(4-chloro-2-pyridinyl)piperazin-1-yl]propyl]-1,3-benzothiazole
CID 164937982
N-(1,3-benzothiazol-2-ylmethyl)-N-(3-piperazin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 153453204
2-(4,4-dimethylpentyl)-1,3-benzothiazole
CID 129255452
4-(1-benzothiophen-2-yl)-2-(3-piperazin-1-ylpropyl)pyrimidine
CID 173121647
2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-1,3-benzothiazole
CID 160888047
3-(3-piperazin-1-ylpropyl)cinnoline
CID 116988016
2-(4-chlorobutyl)-1,3-benzothiazole
CID 28972434
2-(4-iodobutyl)-1,3-benzothiazole
CID 148618103
4-(1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)butanamide
CID 51155972

Frequently Asked Questions

What is the IUPAC name of 2-(3-piperazin-1-ylpropyl)-1,3-benzothiazole?
The IUPAC name of 2-(3-piperazin-1-ylpropyl)-1,3-benzothiazole (CID 116999900) is 2-(3-piperazin-1-ylpropyl)-1,3-benzothiazole.
What is the SMILES notation for 2-(3-piperazin-1-ylpropyl)-1,3-benzothiazole?
The canonical SMILES for 2-(3-piperazin-1-ylpropyl)-1,3-benzothiazole is c1ccc2sc(CCCN3CCNCC3)nc2c1.
What is the InChIKey of 2-(3-piperazin-1-ylpropyl)-1,3-benzothiazole?
The InChIKey is ASJVUJUBJVOUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-2-5-13-12(4-1)16-14(18-13)6-3-9-17-10-7-15-8-11-17/h1-2,4-5,15H,3,6-11H2.
What are the key properties of 2-(3-piperazin-1-ylpropyl)-1,3-benzothiazole?
2-(3-piperazin-1-ylpropyl)-1,3-benzothiazole has a molecular weight of 261.39 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-piperazin-1-ylpropyl)-1,3-benzothiazole is sourced from PubChem (CID 116999900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).