2-[1-(3,3-diethylpiperazin-1-yl)ethyl]-1,3-thiazole

C13H23N3S — CID 64953645

IUPAC2-[1-(3,3-diethylpiperazin-1-yl)ethyl]-1,3-thiazole
SMILESCCC1(CC)CN(C(C)c2nccs2)CCN1
InChIInChI=1S/C13H23N3S/c1-4-13(5-2)10-16(8-6-15-13)11(3)12-14-7-9-17-12/h7,9,11,15H,4-6,8,10H2,1-3H3
InChIKeyZWBTZFPVOPFQCB-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.67
Rot. Bonds4

About 2-[1-(3,3-diethylpiperazin-1-yl)ethyl]-1,3-thiazole

2-[1-(3,3-diethylpiperazin-1-yl)ethyl]-1,3-thiazole (PubChem CID 64953645) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 2-[1-(3,3-diethylpiperazin-1-yl)ethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-(3,3-diethylpiperazin-1-yl)ethyl]-1,3-thiazole
PubChem CID64953645
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name2-[1-(3,3-diethylpiperazin-1-yl)ethyl]-1,3-thiazole
SMILESCCC1(CC)CN(C(C)c2nccs2)CCN1
InChIInChI=1S/C13H23N3S/c1-4-13(5-2)10-16(8-6-15-13)11(3)12-14-7-9-17-12/h7,9,11,15H,4-6,8,10H2,1-3H3
InChIKeyZWBTZFPVOPFQCB-UHFFFAOYSA-N
XLogP2.67
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,3-diethylpiperazin-1-yl)ethyl]-1,3-thiazole?
The IUPAC name of 2-[1-(3,3-diethylpiperazin-1-yl)ethyl]-1,3-thiazole (CID 64953645) is 2-[1-(3,3-diethylpiperazin-1-yl)ethyl]-1,3-thiazole.
What is the SMILES notation for 2-[1-(3,3-diethylpiperazin-1-yl)ethyl]-1,3-thiazole?
The canonical SMILES for 2-[1-(3,3-diethylpiperazin-1-yl)ethyl]-1,3-thiazole is CCC1(CC)CN(C(C)c2nccs2)CCN1.
What is the InChIKey of 2-[1-(3,3-diethylpiperazin-1-yl)ethyl]-1,3-thiazole?
The InChIKey is ZWBTZFPVOPFQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-4-13(5-2)10-16(8-6-15-13)11(3)12-14-7-9-17-12/h7,9,11,15H,4-6,8,10H2,1-3H3.
What are the key properties of 2-[1-(3,3-diethylpiperazin-1-yl)ethyl]-1,3-thiazole?
2-[1-(3,3-diethylpiperazin-1-yl)ethyl]-1,3-thiazole has a molecular weight of 253.41 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,3-diethylpiperazin-1-yl)ethyl]-1,3-thiazole is sourced from PubChem (CID 64953645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).