2-[1-[6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]imidazol-4-yl]-1,3-thiazole

C19H10F6N4S — CID 141185307

IUPAC2-[1-[6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]imidazol-4-yl]-1,3-thiazole
SMILESFC(F)(F)c1ccc(-c2cc(-n3cnc(-c4nccs4)c3)nc(C(F)(F)F)c2)cc1
InChIInChI=1S/C19H10F6N4S/c20-18(21,22)13-3-1-11(2-4-13)12-7-15(19(23,24)25)28-16(8-12)29-9-14(27-10-29)17-26-5-6-30-17/h1-10H
InChIKeyJRLKKAUPYZPVCL-UHFFFAOYSA-N
MW440.37 g/mol
LogP6.10
Rot. Bonds3

About 2-[1-[6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]imidazol-4-yl]-1,3-thiazole

2-[1-[6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]imidazol-4-yl]-1,3-thiazole (PubChem CID 141185307) has the molecular formula C19H10F6N4S and a molecular weight of 440.37 g/mol. Its IUPAC name is 2-[1-[6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]imidazol-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]imidazol-4-yl]-1,3-thiazole
PubChem CID141185307
Molecular FormulaC19H10F6N4S
Molecular Weight440.37 g/mol
Exact Mass440.05
IUPAC Name2-[1-[6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]imidazol-4-yl]-1,3-thiazole
SMILESFC(F)(F)c1ccc(-c2cc(-n3cnc(-c4nccs4)c3)nc(C(F)(F)F)c2)cc1
InChIInChI=1S/C19H10F6N4S/c20-18(21,22)13-3-1-11(2-4-13)12-7-15(19(23,24)25)28-16(8-12)29-9-14(27-10-29)17-26-5-6-30-17/h1-10H
InChIKeyJRLKKAUPYZPVCL-UHFFFAOYSA-N
XLogP6.10
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.37
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[1-[6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]imidazol-4-yl]-1,3-thiazole with MolForge

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Related Compounds

6-(4-Fluorophenyl)-2,3-dihydro-5-(4-pyridinyl)imidazo(2,1-b)thiazole
CID 5228
Imidazopyridine 10e
CID 5329344
Imidazopyridine 10f
CID 5329345
12-Methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823959
N,12-dimethyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823960
S-21007
CID 9863146
4-[6-(4-Fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine
CID 44579300
6-(4-Fluorophenyl)-5-pyridin-4-ylimidazo[2,1-b][1,3]thiazole
CID 19022684
4-[2-[(Dimethylamino)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine
CID 44579299
6-(4-Fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]-5-pyridin-4-ylimidazo[2,1-b][1,3]thiazole
CID 44579351
Sdccgsbi-0096861.P001
CID 3805128
4-[2-(6-Phenylimidazo[2,1-b][1,3]thiazol-5-yl)vinyl]-2-pyrimidinamine
CID 5916724

Frequently Asked Questions

What is the IUPAC name of 2-[1-[6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]imidazol-4-yl]-1,3-thiazole?
The IUPAC name of 2-[1-[6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]imidazol-4-yl]-1,3-thiazole (CID 141185307) is 2-[1-[6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]imidazol-4-yl]-1,3-thiazole.
What is the SMILES notation for 2-[1-[6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]imidazol-4-yl]-1,3-thiazole?
The canonical SMILES for 2-[1-[6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]imidazol-4-yl]-1,3-thiazole is FC(F)(F)c1ccc(-c2cc(-n3cnc(-c4nccs4)c3)nc(C(F)(F)F)c2)cc1.
What is the InChIKey of 2-[1-[6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]imidazol-4-yl]-1,3-thiazole?
The InChIKey is JRLKKAUPYZPVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10F6N4S/c20-18(21,22)13-3-1-11(2-4-13)12-7-15(19(23,24)25)28-16(8-12)29-9-14(27-10-29)17-26-5-6-30-17/h1-10H.
What are the key properties of 2-[1-[6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]imidazol-4-yl]-1,3-thiazole?
2-[1-[6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]imidazol-4-yl]-1,3-thiazole has a molecular weight of 440.37 g/mol, XLogP of 6.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]imidazol-4-yl]-1,3-thiazole is sourced from PubChem (CID 141185307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).