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

C15H16F3N3OS — CID 6986894

IUPAC2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole
SMILESCOc1ccc(N2CCN(c3nc(C(F)(F)F)cs3)CC2)cc1
InChIInChI=1S/C15H16F3N3OS/c1-22-12-4-2-11(3-5-12)20-6-8-21(9-7-20)14-19-13(10-23-14)15(16,17)18/h2-5,10H,6-9H2,1H3
InChIKeyRWXINWLQTAACFN-UHFFFAOYSA-N
MW343.37 g/mol
LogP3.50
Rot. Bonds3

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

2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 6986894) has the molecular formula C15H16F3N3OS and a molecular weight of 343.37 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole
PubChem CID6986894
Molecular FormulaC15H16F3N3OS
Molecular Weight343.37 g/mol
Exact Mass343.10
IUPAC Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole
SMILESCOc1ccc(N2CCN(c3nc(C(F)(F)F)cs3)CC2)cc1
InChIInChI=1S/C15H16F3N3OS/c1-22-12-4-2-11(3-5-12)20-6-8-21(9-7-20)14-19-13(10-23-14)15(16,17)18/h2-5,10H,6-9H2,1H3
InChIKeyRWXINWLQTAACFN-UHFFFAOYSA-N
XLogP3.50
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole (CID 6986894) is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole is COc1ccc(N2CCN(c3nc(C(F)(F)F)cs3)CC2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is RWXINWLQTAACFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3OS/c1-22-12-4-2-11(3-5-12)20-6-8-21(9-7-20)14-19-13(10-23-14)15(16,17)18/h2-5,10H,6-9H2,1H3.
What are the key properties of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole?
2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 343.37 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 6986894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).