2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole

C15H15F4N3S — CID 171704300

IUPAC2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole
SMILESFc1ccc(N2CCN(Cc3nc(C(F)(F)F)cs3)CC2)cc1
InChIInChI=1S/C15H15F4N3S/c16-11-1-3-12(4-2-11)22-7-5-21(6-8-22)9-14-20-13(10-23-14)15(17,18)19/h1-4,10H,5-9H2
InChIKeyOSFLJAIXNMFCEQ-UHFFFAOYSA-N
MW345.37 g/mol
LogP3.62
Rot. Bonds3

About 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole

2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 171704300) has the molecular formula C15H15F4N3S and a molecular weight of 345.37 g/mol. Its IUPAC name is 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole
PubChem CID171704300
Molecular FormulaC15H15F4N3S
Molecular Weight345.37 g/mol
Exact Mass345.09
IUPAC Name2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole
SMILESFc1ccc(N2CCN(Cc3nc(C(F)(F)F)cs3)CC2)cc1
InChIInChI=1S/C15H15F4N3S/c16-11-1-3-12(4-2-11)22-7-5-21(6-8-22)9-14-20-13(10-23-14)15(17,18)19/h1-4,10H,5-9H2
InChIKeyOSFLJAIXNMFCEQ-UHFFFAOYSA-N
XLogP3.62
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole (CID 171704300) is 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole is Fc1ccc(N2CCN(Cc3nc(C(F)(F)F)cs3)CC2)cc1.
What is the InChIKey of 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is OSFLJAIXNMFCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F4N3S/c16-11-1-3-12(4-2-11)22-7-5-21(6-8-22)9-14-20-13(10-23-14)15(17,18)19/h1-4,10H,5-9H2.
What are the key properties of 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole?
2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 345.37 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 171704300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).