3-[3-(4-methylpiperazin-1-yl)propyl]-2-(4-propan-2-ylphenyl)-1,3-thiazolidin-4-one

C20H31N3OS — CID 3145827

IUPAC3-[3-(4-methylpiperazin-1-yl)propyl]-2-(4-propan-2-ylphenyl)-1,3-thiazolidin-4-one
SMILESCC(C)c1ccc(C2SCC(=O)N2CCCN2CCN(C)CC2)cc1
InChIInChI=1S/C20H31N3OS/c1-16(2)17-5-7-18(8-6-17)20-23(19(24)15-25-20)10-4-9-22-13-11-21(3)12-14-22/h5-8,16,20H,4,9-15H2,1-3H3
InChIKeyOQRGLBCZWURNRO-UHFFFAOYSA-N
MW361.56 g/mol
LogP3.02
Rot. Bonds6

About 3-[3-(4-methylpiperazin-1-yl)propyl]-2-(4-propan-2-ylphenyl)-1,3-thiazolidin-4-one

3-[3-(4-methylpiperazin-1-yl)propyl]-2-(4-propan-2-ylphenyl)-1,3-thiazolidin-4-one (PubChem CID 3145827) has the molecular formula C20H31N3OS and a molecular weight of 361.56 g/mol. Its IUPAC name is 3-[3-(4-methylpiperazin-1-yl)propyl]-2-(4-propan-2-ylphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[3-(4-methylpiperazin-1-yl)propyl]-2-(4-propan-2-ylphenyl)-1,3-thiazolidin-4-one
PubChem CID3145827
Molecular FormulaC20H31N3OS
Molecular Weight361.56 g/mol
Exact Mass361.22
IUPAC Name3-[3-(4-methylpiperazin-1-yl)propyl]-2-(4-propan-2-ylphenyl)-1,3-thiazolidin-4-one
SMILESCC(C)c1ccc(C2SCC(=O)N2CCCN2CCN(C)CC2)cc1
InChIInChI=1S/C20H31N3OS/c1-16(2)17-5-7-18(8-6-17)20-23(19(24)15-25-20)10-4-9-22-13-11-21(3)12-14-22/h5-8,16,20H,4,9-15H2,1-3H3
InChIKeyOQRGLBCZWURNRO-UHFFFAOYSA-N
XLogP3.02
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.56
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methylpiperazin-1-yl)propyl]-2-(4-propan-2-ylphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-[3-(4-methylpiperazin-1-yl)propyl]-2-(4-propan-2-ylphenyl)-1,3-thiazolidin-4-one (CID 3145827) is 3-[3-(4-methylpiperazin-1-yl)propyl]-2-(4-propan-2-ylphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[3-(4-methylpiperazin-1-yl)propyl]-2-(4-propan-2-ylphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[3-(4-methylpiperazin-1-yl)propyl]-2-(4-propan-2-ylphenyl)-1,3-thiazolidin-4-one is CC(C)c1ccc(C2SCC(=O)N2CCCN2CCN(C)CC2)cc1.
What is the InChIKey of 3-[3-(4-methylpiperazin-1-yl)propyl]-2-(4-propan-2-ylphenyl)-1,3-thiazolidin-4-one?
The InChIKey is OQRGLBCZWURNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3OS/c1-16(2)17-5-7-18(8-6-17)20-23(19(24)15-25-20)10-4-9-22-13-11-21(3)12-14-22/h5-8,16,20H,4,9-15H2,1-3H3.
What are the key properties of 3-[3-(4-methylpiperazin-1-yl)propyl]-2-(4-propan-2-ylphenyl)-1,3-thiazolidin-4-one?
3-[3-(4-methylpiperazin-1-yl)propyl]-2-(4-propan-2-ylphenyl)-1,3-thiazolidin-4-one has a molecular weight of 361.56 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methylpiperazin-1-yl)propyl]-2-(4-propan-2-ylphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3145827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).