4-(2-fluorophenyl)-2-piperazin-1-yl-2,3-dihydro-1,3-thiazole

C13H16FN3S — CID 163429754

IUPAC4-(2-fluorophenyl)-2-piperazin-1-yl-2,3-dihydro-1,3-thiazole
SMILESFc1ccccc1C1=CSC(N2CCNCC2)N1
InChIInChI=1S/C13H16FN3S/c14-11-4-2-1-3-10(11)12-9-18-13(16-12)17-7-5-15-6-8-17/h1-4,9,13,15-16H,5-8H2
InChIKeyAPLYQVZTDWQIAK-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.65
Rot. Bonds2

About 4-(2-fluorophenyl)-2-piperazin-1-yl-2,3-dihydro-1,3-thiazole

4-(2-fluorophenyl)-2-piperazin-1-yl-2,3-dihydro-1,3-thiazole (PubChem CID 163429754) has the molecular formula C13H16FN3S and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-2-piperazin-1-yl-2,3-dihydro-1,3-thiazole.

Molecular Properties

Compound Name4-(2-fluorophenyl)-2-piperazin-1-yl-2,3-dihydro-1,3-thiazole
PubChem CID163429754
Molecular FormulaC13H16FN3S
Molecular Weight265.36 g/mol
Exact Mass265.10
IUPAC Name4-(2-fluorophenyl)-2-piperazin-1-yl-2,3-dihydro-1,3-thiazole
SMILESFc1ccccc1C1=CSC(N2CCNCC2)N1
InChIInChI=1S/C13H16FN3S/c14-11-4-2-1-3-10(11)12-9-18-13(16-12)17-7-5-15-6-8-17/h1-4,9,13,15-16H,5-8H2
InChIKeyAPLYQVZTDWQIAK-UHFFFAOYSA-N
XLogP1.65
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-2-piperazin-1-yl-2,3-dihydro-1,3-thiazole?
The IUPAC name of 4-(2-fluorophenyl)-2-piperazin-1-yl-2,3-dihydro-1,3-thiazole (CID 163429754) is 4-(2-fluorophenyl)-2-piperazin-1-yl-2,3-dihydro-1,3-thiazole.
What is the SMILES notation for 4-(2-fluorophenyl)-2-piperazin-1-yl-2,3-dihydro-1,3-thiazole?
The canonical SMILES for 4-(2-fluorophenyl)-2-piperazin-1-yl-2,3-dihydro-1,3-thiazole is Fc1ccccc1C1=CSC(N2CCNCC2)N1.
What is the InChIKey of 4-(2-fluorophenyl)-2-piperazin-1-yl-2,3-dihydro-1,3-thiazole?
The InChIKey is APLYQVZTDWQIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3S/c14-11-4-2-1-3-10(11)12-9-18-13(16-12)17-7-5-15-6-8-17/h1-4,9,13,15-16H,5-8H2.
What are the key properties of 4-(2-fluorophenyl)-2-piperazin-1-yl-2,3-dihydro-1,3-thiazole?
4-(2-fluorophenyl)-2-piperazin-1-yl-2,3-dihydro-1,3-thiazole has a molecular weight of 265.36 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-2-piperazin-1-yl-2,3-dihydro-1,3-thiazole is sourced from PubChem (CID 163429754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).