2-[(4-quinoxalin-2-ylpiperazin-1-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole

C17H16F3N5S — CID 171334667

IUPAC2-[(4-quinoxalin-2-ylpiperazin-1-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1csc(CN2CCN(c3cnc4ccccc4n3)CC2)n1
InChIInChI=1S/C17H16F3N5S/c18-17(19,20)14-11-26-16(23-14)10-24-5-7-25(8-6-24)15-9-21-12-3-1-2-4-13(12)22-15/h1-4,9,11H,5-8,10H2
InChIKeyFFJWUXGEVBWCTM-UHFFFAOYSA-N
MW379.41 g/mol
LogP3.43
Rot. Bonds3

About 2-[(4-quinoxalin-2-ylpiperazin-1-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole

2-[(4-quinoxalin-2-ylpiperazin-1-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 171334667) has the molecular formula C17H16F3N5S and a molecular weight of 379.41 g/mol. Its IUPAC name is 2-[(4-quinoxalin-2-ylpiperazin-1-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[(4-quinoxalin-2-ylpiperazin-1-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole
PubChem CID171334667
Molecular FormulaC17H16F3N5S
Molecular Weight379.41 g/mol
Exact Mass379.11
IUPAC Name2-[(4-quinoxalin-2-ylpiperazin-1-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1csc(CN2CCN(c3cnc4ccccc4n3)CC2)n1
InChIInChI=1S/C17H16F3N5S/c18-17(19,20)14-11-26-16(23-14)10-24-5-7-25(8-6-24)15-9-21-12-3-1-2-4-13(12)22-15/h1-4,9,11H,5-8,10H2
InChIKeyFFJWUXGEVBWCTM-UHFFFAOYSA-N
XLogP3.43
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-quinoxalin-2-ylpiperazin-1-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-[(4-quinoxalin-2-ylpiperazin-1-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole (CID 171334667) is 2-[(4-quinoxalin-2-ylpiperazin-1-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-[(4-quinoxalin-2-ylpiperazin-1-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-[(4-quinoxalin-2-ylpiperazin-1-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole is FC(F)(F)c1csc(CN2CCN(c3cnc4ccccc4n3)CC2)n1.
What is the InChIKey of 2-[(4-quinoxalin-2-ylpiperazin-1-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is FFJWUXGEVBWCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5S/c18-17(19,20)14-11-26-16(23-14)10-24-5-7-25(8-6-24)15-9-21-12-3-1-2-4-13(12)22-15/h1-4,9,11H,5-8,10H2.
What are the key properties of 2-[(4-quinoxalin-2-ylpiperazin-1-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole?
2-[(4-quinoxalin-2-ylpiperazin-1-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 379.41 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-quinoxalin-2-ylpiperazin-1-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 171334667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).