5-(4-fluorophenyl)-2-(4-propylpiperazin-1-yl)-1,3-thiazol-4-one

C16H20FN3OS — CID 3039612

IUPAC5-(4-fluorophenyl)-2-(4-propylpiperazin-1-yl)-1,3-thiazol-4-one
SMILESCCCN1CCN(C2=NC(=O)C(c3ccc(F)cc3)S2)CC1
InChIInChI=1S/C16H20FN3OS/c1-2-7-19-8-10-20(11-9-19)16-18-15(21)14(22-16)12-3-5-13(17)6-4-12/h3-6,14H,2,7-11H2,1H3
InChIKeyCQIWKCGJYBXASZ-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.52
Rot. Bonds3

About 5-(4-fluorophenyl)-2-(4-propylpiperazin-1-yl)-1,3-thiazol-4-one

5-(4-fluorophenyl)-2-(4-propylpiperazin-1-yl)-1,3-thiazol-4-one (PubChem CID 3039612) has the molecular formula C16H20FN3OS and a molecular weight of 321.42 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-(4-propylpiperazin-1-yl)-1,3-thiazol-4-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-(4-propylpiperazin-1-yl)-1,3-thiazol-4-one
PubChem CID3039612
Molecular FormulaC16H20FN3OS
Molecular Weight321.42 g/mol
Exact Mass321.13
IUPAC Name5-(4-fluorophenyl)-2-(4-propylpiperazin-1-yl)-1,3-thiazol-4-one
SMILESCCCN1CCN(C2=NC(=O)C(c3ccc(F)cc3)S2)CC1
InChIInChI=1S/C16H20FN3OS/c1-2-7-19-8-10-20(11-9-19)16-18-15(21)14(22-16)12-3-5-13(17)6-4-12/h3-6,14H,2,7-11H2,1H3
InChIKeyCQIWKCGJYBXASZ-UHFFFAOYSA-N
XLogP2.52
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-(4-propylpiperazin-1-yl)-1,3-thiazol-4-one?
The IUPAC name of 5-(4-fluorophenyl)-2-(4-propylpiperazin-1-yl)-1,3-thiazol-4-one (CID 3039612) is 5-(4-fluorophenyl)-2-(4-propylpiperazin-1-yl)-1,3-thiazol-4-one.
What is the SMILES notation for 5-(4-fluorophenyl)-2-(4-propylpiperazin-1-yl)-1,3-thiazol-4-one?
The canonical SMILES for 5-(4-fluorophenyl)-2-(4-propylpiperazin-1-yl)-1,3-thiazol-4-one is CCCN1CCN(C2=NC(=O)C(c3ccc(F)cc3)S2)CC1.
What is the InChIKey of 5-(4-fluorophenyl)-2-(4-propylpiperazin-1-yl)-1,3-thiazol-4-one?
The InChIKey is CQIWKCGJYBXASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3OS/c1-2-7-19-8-10-20(11-9-19)16-18-15(21)14(22-16)12-3-5-13(17)6-4-12/h3-6,14H,2,7-11H2,1H3.
What are the key properties of 5-(4-fluorophenyl)-2-(4-propylpiperazin-1-yl)-1,3-thiazol-4-one?
5-(4-fluorophenyl)-2-(4-propylpiperazin-1-yl)-1,3-thiazol-4-one has a molecular weight of 321.42 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-(4-propylpiperazin-1-yl)-1,3-thiazol-4-one is sourced from PubChem (CID 3039612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).