4-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-amine

C13H24N4S — CID 65484466

IUPAC4-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-amine
SMILESCCC(C)N1CCN(CCc2csc(N)n2)CC1
InChIInChI=1S/C13H24N4S/c1-3-11(2)17-8-6-16(7-9-17)5-4-12-10-18-13(14)15-12/h10-11H,3-9H2,1-2H3,(H2,14,15)
InChIKeyYHAHIWVDGBHMIP-UHFFFAOYSA-N
MW268.43 g/mol
LogP1.68
Rot. Bonds5

About 4-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-amine

4-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-amine (PubChem CID 65484466) has the molecular formula C13H24N4S and a molecular weight of 268.43 g/mol. Its IUPAC name is 4-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-amine
PubChem CID65484466
Molecular FormulaC13H24N4S
Molecular Weight268.43 g/mol
Exact Mass268.17
IUPAC Name4-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-amine
SMILESCCC(C)N1CCN(CCc2csc(N)n2)CC1
InChIInChI=1S/C13H24N4S/c1-3-11(2)17-8-6-16(7-9-17)5-4-12-10-18-13(14)15-12/h10-11H,3-9H2,1-2H3,(H2,14,15)
InChIKeyYHAHIWVDGBHMIP-UHFFFAOYSA-N
XLogP1.68
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-amine (CID 65484466) is 4-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-amine is CCC(C)N1CCN(CCc2csc(N)n2)CC1.
What is the InChIKey of 4-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-amine?
The InChIKey is YHAHIWVDGBHMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4S/c1-3-11(2)17-8-6-16(7-9-17)5-4-12-10-18-13(14)15-12/h10-11H,3-9H2,1-2H3,(H2,14,15).
What are the key properties of 4-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-amine?
4-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-amine has a molecular weight of 268.43 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 65484466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).