1-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-4-yl]ethanone

C12H19N3OS — CID 64543814

IUPAC1-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-4-yl]ethanone
SMILESCCCN1CCN(c2nc(C(C)=O)cs2)CC1
InChIInChI=1S/C12H19N3OS/c1-3-4-14-5-7-15(8-6-14)12-13-11(9-17-12)10(2)16/h9H,3-8H2,1-2H3
InChIKeyLLDSTYZDRWFKLV-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.88
Rot. Bonds4

About 1-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-4-yl]ethanone

1-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-4-yl]ethanone (PubChem CID 64543814) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 1-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-4-yl]ethanone
PubChem CID64543814
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name1-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-4-yl]ethanone
SMILESCCCN1CCN(c2nc(C(C)=O)cs2)CC1
InChIInChI=1S/C12H19N3OS/c1-3-4-14-5-7-15(8-6-14)12-13-11(9-17-12)10(2)16/h9H,3-8H2,1-2H3
InChIKeyLLDSTYZDRWFKLV-UHFFFAOYSA-N
XLogP1.88
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-4-yl]ethanone 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 1-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-4-yl]ethanone (CID 64543814) is 1-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-4-yl]ethanone is CCCN1CCN(c2nc(C(C)=O)cs2)CC1.
What is the InChIKey of 1-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-4-yl]ethanone?
The InChIKey is LLDSTYZDRWFKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-3-4-14-5-7-15(8-6-14)12-13-11(9-17-12)10(2)16/h9H,3-8H2,1-2H3.
What are the key properties of 1-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-4-yl]ethanone?
1-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-4-yl]ethanone has a molecular weight of 253.37 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 64543814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).