2-[4-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]piperazin-1-yl]-1,3-thiazole

C16H26N4S — CID 79611595

IUPAC2-[4-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]piperazin-1-yl]-1,3-thiazole
SMILESc1csc(N2CCN(CCC3CC4CCC(C3)N4)CC2)n1
InChIInChI=1S/C16H26N4S/c1-2-15-12-13(11-14(1)18-15)3-5-19-6-8-20(9-7-19)16-17-4-10-21-16/h4,10,13-15,18H,1-3,5-9,11-12H2
InChIKeyDISSLARMQFOHBC-UHFFFAOYSA-N
MW306.48 g/mol
LogP2.19
Rot. Bonds4

About 2-[4-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]piperazin-1-yl]-1,3-thiazole

2-[4-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]piperazin-1-yl]-1,3-thiazole (PubChem CID 79611595) has the molecular formula C16H26N4S and a molecular weight of 306.48 g/mol. Its IUPAC name is 2-[4-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]piperazin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]piperazin-1-yl]-1,3-thiazole
PubChem CID79611595
Molecular FormulaC16H26N4S
Molecular Weight306.48 g/mol
Exact Mass306.19
IUPAC Name2-[4-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]piperazin-1-yl]-1,3-thiazole
SMILESc1csc(N2CCN(CCC3CC4CCC(C3)N4)CC2)n1
InChIInChI=1S/C16H26N4S/c1-2-15-12-13(11-14(1)18-15)3-5-19-6-8-20(9-7-19)16-17-4-10-21-16/h4,10,13-15,18H,1-3,5-9,11-12H2
InChIKeyDISSLARMQFOHBC-UHFFFAOYSA-N
XLogP2.19
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]piperazin-1-yl]-1,3-thiazole?
The IUPAC name of 2-[4-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]piperazin-1-yl]-1,3-thiazole (CID 79611595) is 2-[4-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]piperazin-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[4-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]piperazin-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[4-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]piperazin-1-yl]-1,3-thiazole is c1csc(N2CCN(CCC3CC4CCC(C3)N4)CC2)n1.
What is the InChIKey of 2-[4-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]piperazin-1-yl]-1,3-thiazole?
The InChIKey is DISSLARMQFOHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4S/c1-2-15-12-13(11-14(1)18-15)3-5-19-6-8-20(9-7-19)16-17-4-10-21-16/h4,10,13-15,18H,1-3,5-9,11-12H2.
What are the key properties of 2-[4-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]piperazin-1-yl]-1,3-thiazole?
2-[4-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]piperazin-1-yl]-1,3-thiazole has a molecular weight of 306.48 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]piperazin-1-yl]-1,3-thiazole is sourced from PubChem (CID 79611595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).