1-[4-(4-ethylpiperazine-1-carbonyl)-1,3-thiazolidin-3-yl]pentan-1-one

C15H27N3O2S — CID 42744753

IUPAC1-[4-(4-ethylpiperazine-1-carbonyl)-1,3-thiazolidin-3-yl]pentan-1-one
SMILESCCCCC(=O)N1CSCC1C(=O)N1CCN(CC)CC1
InChIInChI=1S/C15H27N3O2S/c1-3-5-6-14(19)18-12-21-11-13(18)15(20)17-9-7-16(4-2)8-10-17/h13H,3-12H2,1-2H3
InChIKeyASIHQMLMMAFKLJ-UHFFFAOYSA-N
MW313.47 g/mol
LogP1.24
Rot. Bonds5

About 1-[4-(4-ethylpiperazine-1-carbonyl)-1,3-thiazolidin-3-yl]pentan-1-one

1-[4-(4-ethylpiperazine-1-carbonyl)-1,3-thiazolidin-3-yl]pentan-1-one (PubChem CID 42744753) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is 1-[4-(4-ethylpiperazine-1-carbonyl)-1,3-thiazolidin-3-yl]pentan-1-one.

Molecular Properties

Compound Name1-[4-(4-ethylpiperazine-1-carbonyl)-1,3-thiazolidin-3-yl]pentan-1-one
PubChem CID42744753
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC Name1-[4-(4-ethylpiperazine-1-carbonyl)-1,3-thiazolidin-3-yl]pentan-1-one
SMILESCCCCC(=O)N1CSCC1C(=O)N1CCN(CC)CC1
InChIInChI=1S/C15H27N3O2S/c1-3-5-6-14(19)18-12-21-11-13(18)15(20)17-9-7-16(4-2)8-10-17/h13H,3-12H2,1-2H3
InChIKeyASIHQMLMMAFKLJ-UHFFFAOYSA-N
XLogP1.24
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(4-ethylpiperazine-1-carbonyl)-1,3-thiazolidin-3-yl]pentan-1-one 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-[4-(4-ethylpiperazine-1-carbonyl)-1,3-thiazolidin-3-yl]pentan-1-one?
The IUPAC name of 1-[4-(4-ethylpiperazine-1-carbonyl)-1,3-thiazolidin-3-yl]pentan-1-one (CID 42744753) is 1-[4-(4-ethylpiperazine-1-carbonyl)-1,3-thiazolidin-3-yl]pentan-1-one.
What is the SMILES notation for 1-[4-(4-ethylpiperazine-1-carbonyl)-1,3-thiazolidin-3-yl]pentan-1-one?
The canonical SMILES for 1-[4-(4-ethylpiperazine-1-carbonyl)-1,3-thiazolidin-3-yl]pentan-1-one is CCCCC(=O)N1CSCC1C(=O)N1CCN(CC)CC1.
What is the InChIKey of 1-[4-(4-ethylpiperazine-1-carbonyl)-1,3-thiazolidin-3-yl]pentan-1-one?
The InChIKey is ASIHQMLMMAFKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-3-5-6-14(19)18-12-21-11-13(18)15(20)17-9-7-16(4-2)8-10-17/h13H,3-12H2,1-2H3.
What are the key properties of 1-[4-(4-ethylpiperazine-1-carbonyl)-1,3-thiazolidin-3-yl]pentan-1-one?
1-[4-(4-ethylpiperazine-1-carbonyl)-1,3-thiazolidin-3-yl]pentan-1-one has a molecular weight of 313.47 g/mol, XLogP of 1.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethylpiperazine-1-carbonyl)-1,3-thiazolidin-3-yl]pentan-1-one is sourced from PubChem (CID 42744753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).