2-cyclopropyl-6-(2-piperazin-1-ylethyl)-1,3-benzothiazole

C16H21N3S — CID 117464136

IUPAC2-cyclopropyl-6-(2-piperazin-1-ylethyl)-1,3-benzothiazole
SMILESc1cc2nc(C3CC3)sc2cc1CCN1CCNCC1
InChIInChI=1S/C16H21N3S/c1-4-14-15(20-16(18-14)13-2-3-13)11-12(1)5-8-19-9-6-17-7-10-19/h1,4,11,13,17H,2-3,5-10H2
InChIKeySXGNDXQGXMHUGN-UHFFFAOYSA-N
MW287.43 g/mol
LogP2.62
Rot. Bonds4

About 2-cyclopropyl-6-(2-piperazin-1-ylethyl)-1,3-benzothiazole

2-cyclopropyl-6-(2-piperazin-1-ylethyl)-1,3-benzothiazole (PubChem CID 117464136) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is 2-cyclopropyl-6-(2-piperazin-1-ylethyl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-cyclopropyl-6-(2-piperazin-1-ylethyl)-1,3-benzothiazole
PubChem CID117464136
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC Name2-cyclopropyl-6-(2-piperazin-1-ylethyl)-1,3-benzothiazole
SMILESc1cc2nc(C3CC3)sc2cc1CCN1CCNCC1
InChIInChI=1S/C16H21N3S/c1-4-14-15(20-16(18-14)13-2-3-13)11-12(1)5-8-19-9-6-17-7-10-19/h1,4,11,13,17H,2-3,5-10H2
InChIKeySXGNDXQGXMHUGN-UHFFFAOYSA-N
XLogP2.62
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(1,4-diazepan-1-yl)ethyl]-2-methyl-1,3-benzothiazole
CID 98033974
2-cyclopropyl-4-(2-piperazin-1-ylethyl)-1,3-thiazole
CID 96900907
5-(2-piperazin-1-ylethyl)-1,3-benzothiazole
CID 82498602
6-methylsulfanyl-2-piperidin-4-yl-1,3-benzothiazole
CID 84639586
1-methyl-6-(2-piperazin-1-ylethyl)benzimidazole
CID 117363225
2-piperidin-4-yl-1,3-benzothiazole-6-carbaldehyde
CID 169226523
2-ethyl-6-(2-piperazin-1-ylethyl)-1H-benzimidazole
CID 82500177
2-cyclopropyl-4-(piperazin-1-ylmethyl)-1,3-benzothiazole
CID 117436564
1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperazine
CID 82130408
6-butyl-2-piperazin-1-yl-1,3-benzothiazole;hydrochloride
CID 82020498
1-[2-[3-(4-methylcyclohexyl)phenyl]ethyl]piperazine
CID 117462174
2-cyclopropyl-5-piperidin-4-yl-1,3-benzothiazole
CID 117399909

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(2-piperazin-1-ylethyl)-1,3-benzothiazole?
The IUPAC name of 2-cyclopropyl-6-(2-piperazin-1-ylethyl)-1,3-benzothiazole (CID 117464136) is 2-cyclopropyl-6-(2-piperazin-1-ylethyl)-1,3-benzothiazole.
What is the SMILES notation for 2-cyclopropyl-6-(2-piperazin-1-ylethyl)-1,3-benzothiazole?
The canonical SMILES for 2-cyclopropyl-6-(2-piperazin-1-ylethyl)-1,3-benzothiazole is c1cc2nc(C3CC3)sc2cc1CCN1CCNCC1.
What is the InChIKey of 2-cyclopropyl-6-(2-piperazin-1-ylethyl)-1,3-benzothiazole?
The InChIKey is SXGNDXQGXMHUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-4-14-15(20-16(18-14)13-2-3-13)11-12(1)5-8-19-9-6-17-7-10-19/h1,4,11,13,17H,2-3,5-10H2.
What are the key properties of 2-cyclopropyl-6-(2-piperazin-1-ylethyl)-1,3-benzothiazole?
2-cyclopropyl-6-(2-piperazin-1-ylethyl)-1,3-benzothiazole has a molecular weight of 287.43 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(2-piperazin-1-ylethyl)-1,3-benzothiazole is sourced from PubChem (CID 117464136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).