2-[4-(4-propan-2-yl-1,3-thiazol-2-yl)piperazin-1-yl]ethanamine

C12H22N4S — CID 82167547

IUPAC2-[4-(4-propan-2-yl-1,3-thiazol-2-yl)piperazin-1-yl]ethanamine
SMILESCC(C)c1csc(N2CCN(CCN)CC2)n1
InChIInChI=1S/C12H22N4S/c1-10(2)11-9-17-12(14-11)16-7-5-15(4-3-13)6-8-16/h9-10H,3-8,13H2,1-2H3
InChIKeyTZKHVSUZIRVNND-UHFFFAOYSA-N
MW254.40 g/mol
LogP1.35
Rot. Bonds4

About 2-[4-(4-propan-2-yl-1,3-thiazol-2-yl)piperazin-1-yl]ethanamine

2-[4-(4-propan-2-yl-1,3-thiazol-2-yl)piperazin-1-yl]ethanamine (PubChem CID 82167547) has the molecular formula C12H22N4S and a molecular weight of 254.40 g/mol. Its IUPAC name is 2-[4-(4-propan-2-yl-1,3-thiazol-2-yl)piperazin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(4-propan-2-yl-1,3-thiazol-2-yl)piperazin-1-yl]ethanamine
PubChem CID82167547
Molecular FormulaC12H22N4S
Molecular Weight254.40 g/mol
Exact Mass254.16
IUPAC Name2-[4-(4-propan-2-yl-1,3-thiazol-2-yl)piperazin-1-yl]ethanamine
SMILESCC(C)c1csc(N2CCN(CCN)CC2)n1
InChIInChI=1S/C12H22N4S/c1-10(2)11-9-17-12(14-11)16-7-5-15(4-3-13)6-8-16/h9-10H,3-8,13H2,1-2H3
InChIKeyTZKHVSUZIRVNND-UHFFFAOYSA-N
XLogP1.35
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(4-propan-2-yl-1,3-thiazol-2-yl)piperazin-1-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-propan-2-yl-1,3-thiazol-2-yl)piperazin-1-yl]ethanamine?
The IUPAC name of 2-[4-(4-propan-2-yl-1,3-thiazol-2-yl)piperazin-1-yl]ethanamine (CID 82167547) is 2-[4-(4-propan-2-yl-1,3-thiazol-2-yl)piperazin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(4-propan-2-yl-1,3-thiazol-2-yl)piperazin-1-yl]ethanamine?
The canonical SMILES for 2-[4-(4-propan-2-yl-1,3-thiazol-2-yl)piperazin-1-yl]ethanamine is CC(C)c1csc(N2CCN(CCN)CC2)n1.
What is the InChIKey of 2-[4-(4-propan-2-yl-1,3-thiazol-2-yl)piperazin-1-yl]ethanamine?
The InChIKey is TZKHVSUZIRVNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S/c1-10(2)11-9-17-12(14-11)16-7-5-15(4-3-13)6-8-16/h9-10H,3-8,13H2,1-2H3.
What are the key properties of 2-[4-(4-propan-2-yl-1,3-thiazol-2-yl)piperazin-1-yl]ethanamine?
2-[4-(4-propan-2-yl-1,3-thiazol-2-yl)piperazin-1-yl]ethanamine has a molecular weight of 254.40 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-propan-2-yl-1,3-thiazol-2-yl)piperazin-1-yl]ethanamine is sourced from PubChem (CID 82167547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).