2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazol-5-amine

C11H20N4S — CID 102768331

IUPAC2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazol-5-amine
SMILESCC(C)CN1CCN(c2ncc(N)s2)CC1
InChIInChI=1S/C11H20N4S/c1-9(2)8-14-3-5-15(6-4-14)11-13-7-10(12)16-11/h7,9H,3-6,8,12H2,1-2H3
InChIKeyJNKZXEFCHBHOHG-UHFFFAOYSA-N
MW240.38 g/mol
LogP1.50
Rot. Bonds3

About 2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazol-5-amine

2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazol-5-amine (PubChem CID 102768331) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is 2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazol-5-amine
PubChem CID102768331
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazol-5-amine
SMILESCC(C)CN1CCN(c2ncc(N)s2)CC1
InChIInChI=1S/C11H20N4S/c1-9(2)8-14-3-5-15(6-4-14)11-13-7-10(12)16-11/h7,9H,3-6,8,12H2,1-2H3
InChIKeyJNKZXEFCHBHOHG-UHFFFAOYSA-N
XLogP1.50
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazol-5-amine?
The IUPAC name of 2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazol-5-amine (CID 102768331) is 2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazol-5-amine.
What is the SMILES notation for 2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazol-5-amine?
The canonical SMILES for 2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazol-5-amine is CC(C)CN1CCN(c2ncc(N)s2)CC1.
What is the InChIKey of 2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazol-5-amine?
The InChIKey is JNKZXEFCHBHOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-9(2)8-14-3-5-15(6-4-14)11-13-7-10(12)16-11/h7,9H,3-6,8,12H2,1-2H3.
What are the key properties of 2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazol-5-amine?
2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazol-5-amine has a molecular weight of 240.38 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazol-5-amine is sourced from PubChem (CID 102768331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).