5-ethyl-2-(1-piperazin-1-ylbutyl)-1,3-thiazole

C13H23N3S — CID 63342133

IUPAC5-ethyl-2-(1-piperazin-1-ylbutyl)-1,3-thiazole
SMILESCCCC(c1ncc(CC)s1)N1CCNCC1
InChIInChI=1S/C13H23N3S/c1-3-5-12(16-8-6-14-7-9-16)13-15-10-11(4-2)17-13/h10,12,14H,3-9H2,1-2H3
InChIKeyVAFAFEUQNKSJCL-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.45
Rot. Bonds5

About 5-ethyl-2-(1-piperazin-1-ylbutyl)-1,3-thiazole

5-ethyl-2-(1-piperazin-1-ylbutyl)-1,3-thiazole (PubChem CID 63342133) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 5-ethyl-2-(1-piperazin-1-ylbutyl)-1,3-thiazole.

Molecular Properties

Compound Name5-ethyl-2-(1-piperazin-1-ylbutyl)-1,3-thiazole
PubChem CID63342133
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name5-ethyl-2-(1-piperazin-1-ylbutyl)-1,3-thiazole
SMILESCCCC(c1ncc(CC)s1)N1CCNCC1
InChIInChI=1S/C13H23N3S/c1-3-5-12(16-8-6-14-7-9-16)13-15-10-11(4-2)17-13/h10,12,14H,3-9H2,1-2H3
InChIKeyVAFAFEUQNKSJCL-UHFFFAOYSA-N
XLogP2.45
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(1-piperazin-1-ylbutyl)-1,3-thiazole?
The IUPAC name of 5-ethyl-2-(1-piperazin-1-ylbutyl)-1,3-thiazole (CID 63342133) is 5-ethyl-2-(1-piperazin-1-ylbutyl)-1,3-thiazole.
What is the SMILES notation for 5-ethyl-2-(1-piperazin-1-ylbutyl)-1,3-thiazole?
The canonical SMILES for 5-ethyl-2-(1-piperazin-1-ylbutyl)-1,3-thiazole is CCCC(c1ncc(CC)s1)N1CCNCC1.
What is the InChIKey of 5-ethyl-2-(1-piperazin-1-ylbutyl)-1,3-thiazole?
The InChIKey is VAFAFEUQNKSJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-3-5-12(16-8-6-14-7-9-16)13-15-10-11(4-2)17-13/h10,12,14H,3-9H2,1-2H3.
What are the key properties of 5-ethyl-2-(1-piperazin-1-ylbutyl)-1,3-thiazole?
5-ethyl-2-(1-piperazin-1-ylbutyl)-1,3-thiazole has a molecular weight of 253.41 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(1-piperazin-1-ylbutyl)-1,3-thiazole is sourced from PubChem (CID 63342133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).