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

C17H24FN3OS — CID 2881893

IUPAC2-(4-fluorophenyl)-3-[3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazolidin-4-one
SMILESCN1CCN(CCCN2C(=O)CSC2c2ccc(F)cc2)CC1
InChIInChI=1S/C17H24FN3OS/c1-19-9-11-20(12-10-19)7-2-8-21-16(22)13-23-17(21)14-3-5-15(18)6-4-14/h3-6,17H,2,7-13H2,1H3
InChIKeyWHUNKNZDNBFZAG-UHFFFAOYSA-N
MW337.46 g/mol
LogP2.04
Rot. Bonds5

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

2-(4-fluorophenyl)-3-[3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazolidin-4-one (PubChem CID 2881893) has the molecular formula C17H24FN3OS and a molecular weight of 337.46 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-[3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-[3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazolidin-4-one
PubChem CID2881893
Molecular FormulaC17H24FN3OS
Molecular Weight337.46 g/mol
Exact Mass337.16
IUPAC Name2-(4-fluorophenyl)-3-[3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazolidin-4-one
SMILESCN1CCN(CCCN2C(=O)CSC2c2ccc(F)cc2)CC1
InChIInChI=1S/C17H24FN3OS/c1-19-9-11-20(12-10-19)7-2-8-21-16(22)13-23-17(21)14-3-5-15(18)6-4-14/h3-6,17H,2,7-13H2,1H3
InChIKeyWHUNKNZDNBFZAG-UHFFFAOYSA-N
XLogP2.04
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-[3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-fluorophenyl)-3-[3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazolidin-4-one (CID 2881893) is 2-(4-fluorophenyl)-3-[3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)-3-[3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-fluorophenyl)-3-[3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazolidin-4-one is CN1CCN(CCCN2C(=O)CSC2c2ccc(F)cc2)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-3-[3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazolidin-4-one?
The InChIKey is WHUNKNZDNBFZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3OS/c1-19-9-11-20(12-10-19)7-2-8-21-16(22)13-23-17(21)14-3-5-15(18)6-4-14/h3-6,17H,2,7-13H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-3-[3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazolidin-4-one?
2-(4-fluorophenyl)-3-[3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazolidin-4-one has a molecular weight of 337.46 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-[3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 2881893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).