4-(trifluoromethyl)-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridine-2-thione

C10H4F6N2S2 — CID 106787570

IUPAC4-(trifluoromethyl)-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridine-2-thione
SMILESFC(F)(F)c1cc(-c2cnc(C(F)(F)F)s2)[nH]c(=S)c1
InChIInChI=1S/C10H4F6N2S2/c11-9(12,13)4-1-5(18-7(19)2-4)6-3-17-8(20-6)10(14,15)16/h1-3H,(H,18,19)
InChIKeyBGISDMOZFJTAJX-UHFFFAOYSA-N
MW330.28 g/mol
LogP4.91
Rot. Bonds1

About 4-(trifluoromethyl)-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridine-2-thione

4-(trifluoromethyl)-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridine-2-thione (PubChem CID 106787570) has the molecular formula C10H4F6N2S2 and a molecular weight of 330.28 g/mol. Its IUPAC name is 4-(trifluoromethyl)-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridine-2-thione.

Molecular Properties

Compound Name4-(trifluoromethyl)-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridine-2-thione
PubChem CID106787570
Molecular FormulaC10H4F6N2S2
Molecular Weight330.28 g/mol
Exact Mass329.97
IUPAC Name4-(trifluoromethyl)-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridine-2-thione
SMILESFC(F)(F)c1cc(-c2cnc(C(F)(F)F)s2)[nH]c(=S)c1
InChIInChI=1S/C10H4F6N2S2/c11-9(12,13)4-1-5(18-7(19)2-4)6-3-17-8(20-6)10(14,15)16/h1-3H,(H,18,19)
InChIKeyBGISDMOZFJTAJX-UHFFFAOYSA-N
XLogP4.91
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.28
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidine-4-thione
CID 106787572
2-tert-butyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidine-4-thione
CID 106787574
4-(trifluoromethyl)-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridin-2-one
CID 106787589
5-fluoro-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidine-2-thione
CID 106787590
6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidin-2-one
CID 106787596
6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrazine-2-thione
CID 106787599
2-ethyl-5-methyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidine-4-thione
CID 106787603
5-propan-2-yl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidine-4-thione
CID 106787604
6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridin-2-one
CID 106787609
6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidine-2-thione
CID 106787614
6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidine-4-thione
CID 106787616
2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridine-4-thione
CID 106787623

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridine-2-thione?
The IUPAC name of 4-(trifluoromethyl)-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridine-2-thione (CID 106787570) is 4-(trifluoromethyl)-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridine-2-thione.
What is the SMILES notation for 4-(trifluoromethyl)-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridine-2-thione?
The canonical SMILES for 4-(trifluoromethyl)-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridine-2-thione is FC(F)(F)c1cc(-c2cnc(C(F)(F)F)s2)[nH]c(=S)c1.
What is the InChIKey of 4-(trifluoromethyl)-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridine-2-thione?
The InChIKey is BGISDMOZFJTAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F6N2S2/c11-9(12,13)4-1-5(18-7(19)2-4)6-3-17-8(20-6)10(14,15)16/h1-3H,(H,18,19).
What are the key properties of 4-(trifluoromethyl)-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridine-2-thione?
4-(trifluoromethyl)-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridine-2-thione has a molecular weight of 330.28 g/mol, XLogP of 4.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridine-2-thione is sourced from PubChem (CID 106787570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).