[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone

C15H14F3N3OS — CID 110710921

IUPAC[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
SMILESCc1csc(N2CCN(C(=O)c3ccc(F)c(F)c3F)CC2)n1
InChIInChI=1S/C15H14F3N3OS/c1-9-8-23-15(19-9)21-6-4-20(5-7-21)14(22)10-2-3-11(16)13(18)12(10)17/h2-3,8H,4-7H2,1H3
InChIKeyLENHHSNOKJKYTG-UHFFFAOYSA-N
MW341.36 g/mol
LogP2.83
Rot. Bonds2

About [4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone

[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone (PubChem CID 110710921) has the molecular formula C15H14F3N3OS and a molecular weight of 341.36 g/mol. Its IUPAC name is [4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone.

Molecular Properties

Compound Name[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
PubChem CID110710921
Molecular FormulaC15H14F3N3OS
Molecular Weight341.36 g/mol
Exact Mass341.08
IUPAC Name[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
SMILESCc1csc(N2CCN(C(=O)c3ccc(F)c(F)c3F)CC2)n1
InChIInChI=1S/C15H14F3N3OS/c1-9-8-23-15(19-9)21-6-4-20(5-7-21)14(22)10-2-3-11(16)13(18)12(10)17/h2-3,8H,4-7H2,1H3
InChIKeyLENHHSNOKJKYTG-UHFFFAOYSA-N
XLogP2.83
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone?
The IUPAC name of [4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone (CID 110710921) is [4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone.
What is the SMILES notation for [4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone?
The canonical SMILES for [4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone is Cc1csc(N2CCN(C(=O)c3ccc(F)c(F)c3F)CC2)n1.
What is the InChIKey of [4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone?
The InChIKey is LENHHSNOKJKYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3OS/c1-9-8-23-15(19-9)21-6-4-20(5-7-21)14(22)10-2-3-11(16)13(18)12(10)17/h2-3,8H,4-7H2,1H3.
What are the key properties of [4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone?
[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone has a molecular weight of 341.36 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone is sourced from PubChem (CID 110710921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).