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

C19H18F3N3S2 — CID 46807557

IUPAC2-thiophen-2-yl-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-thiazole
SMILESFC(F)(F)c1cccc(N2CCN(Cc3csc(-c4cccs4)n3)CC2)c1
InChIInChI=1S/C19H18F3N3S2/c20-19(21,22)14-3-1-4-16(11-14)25-8-6-24(7-9-25)12-15-13-27-18(23-15)17-5-2-10-26-17/h1-5,10-11,13H,6-9,12H2
InChIKeyHRLHAVUVZVXWGT-UHFFFAOYSA-N
MW409.50 g/mol
LogP5.21
Rot. Bonds4

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

2-thiophen-2-yl-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-thiazole (PubChem CID 46807557) has the molecular formula C19H18F3N3S2 and a molecular weight of 409.50 g/mol. Its IUPAC name is 2-thiophen-2-yl-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-thiophen-2-yl-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-thiazole
PubChem CID46807557
Molecular FormulaC19H18F3N3S2
Molecular Weight409.50 g/mol
Exact Mass409.09
IUPAC Name2-thiophen-2-yl-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-thiazole
SMILESFC(F)(F)c1cccc(N2CCN(Cc3csc(-c4cccs4)n3)CC2)c1
InChIInChI=1S/C19H18F3N3S2/c20-19(21,22)14-3-1-4-16(11-14)25-8-6-24(7-9-25)12-15-13-27-18(23-15)17-5-2-10-26-17/h1-5,10-11,13H,6-9,12H2
InChIKeyHRLHAVUVZVXWGT-UHFFFAOYSA-N
XLogP5.21
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.50
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-thiazole
CID 51178058
2-thiophen-2-yl-4-[[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methyl]-1,3-thiazole
CID 46615207
5-thiophen-2-yl-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 2117138
4-[(4-ethylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-thiazole;2,2,2-trifluoroacetic acid
CID 171686496
1-[3-(trifluoromethyl)phenyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 18761081
4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 24628231
2-methyl-7-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 55768326
1-(anthracen-9-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 2244842
1-[(5-tert-butylfuran-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 22762653
1-[1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethanol
CID 111113942
1-(3-thiophen-2-ylsulfanylpropyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 19372867
2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 18199925

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-thiophen-2-yl-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-thiazole (CID 46807557) is 2-thiophen-2-yl-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-thiophen-2-yl-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-thiophen-2-yl-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-thiazole is FC(F)(F)c1cccc(N2CCN(Cc3csc(-c4cccs4)n3)CC2)c1.
What is the InChIKey of 2-thiophen-2-yl-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-thiazole?
The InChIKey is HRLHAVUVZVXWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3S2/c20-19(21,22)14-3-1-4-16(11-14)25-8-6-24(7-9-25)12-15-13-27-18(23-15)17-5-2-10-26-17/h1-5,10-11,13H,6-9,12H2.
What are the key properties of 2-thiophen-2-yl-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-thiazole?
2-thiophen-2-yl-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-thiazole has a molecular weight of 409.50 g/mol, XLogP of 5.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 46807557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).