5-ethyl-2-methyl-4-piperazin-2-yl-1,3-thiazole

C10H17N3S — CID 82394508

IUPAC5-ethyl-2-methyl-4-piperazin-2-yl-1,3-thiazole
SMILESCCc1sc(C)nc1C1CNCCN1
InChIInChI=1S/C10H17N3S/c1-3-9-10(13-7(2)14-9)8-6-11-4-5-12-8/h8,11-12H,3-6H2,1-2H3
InChIKeyXIYKJNLIGMUJLN-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.25
Rot. Bonds2

About 5-ethyl-2-methyl-4-piperazin-2-yl-1,3-thiazole

5-ethyl-2-methyl-4-piperazin-2-yl-1,3-thiazole (PubChem CID 82394508) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 5-ethyl-2-methyl-4-piperazin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name5-ethyl-2-methyl-4-piperazin-2-yl-1,3-thiazole
PubChem CID82394508
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name5-ethyl-2-methyl-4-piperazin-2-yl-1,3-thiazole
SMILESCCc1sc(C)nc1C1CNCCN1
InChIInChI=1S/C10H17N3S/c1-3-9-10(13-7(2)14-9)8-6-11-4-5-12-8/h8,11-12H,3-6H2,1-2H3
InChIKeyXIYKJNLIGMUJLN-UHFFFAOYSA-N
XLogP1.25
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methyl-4-piperazin-2-yl-1,3-thiazole?
The IUPAC name of 5-ethyl-2-methyl-4-piperazin-2-yl-1,3-thiazole (CID 82394508) is 5-ethyl-2-methyl-4-piperazin-2-yl-1,3-thiazole.
What is the SMILES notation for 5-ethyl-2-methyl-4-piperazin-2-yl-1,3-thiazole?
The canonical SMILES for 5-ethyl-2-methyl-4-piperazin-2-yl-1,3-thiazole is CCc1sc(C)nc1C1CNCCN1.
What is the InChIKey of 5-ethyl-2-methyl-4-piperazin-2-yl-1,3-thiazole?
The InChIKey is XIYKJNLIGMUJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-3-9-10(13-7(2)14-9)8-6-11-4-5-12-8/h8,11-12H,3-6H2,1-2H3.
What are the key properties of 5-ethyl-2-methyl-4-piperazin-2-yl-1,3-thiazole?
5-ethyl-2-methyl-4-piperazin-2-yl-1,3-thiazole has a molecular weight of 211.33 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methyl-4-piperazin-2-yl-1,3-thiazole is sourced from PubChem (CID 82394508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).