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

C9H5F3N2S2 — CID 106787635

IUPAC6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridine-2-thione
SMILESFC(F)(F)c1ncc(-c2cccc(=S)[nH]2)s1
InChIInChI=1S/C9H5F3N2S2/c10-9(11,12)8-13-4-6(16-8)5-2-1-3-7(15)14-5/h1-4H,(H,14,15)
InChIKeyYMEYEPLEEKCZMD-UHFFFAOYSA-N
MW262.28 g/mol
LogP3.89
Rot. Bonds1

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

6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridine-2-thione (PubChem CID 106787635) has the molecular formula C9H5F3N2S2 and a molecular weight of 262.28 g/mol. Its IUPAC name is 6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridine-2-thione.

Molecular Properties

Compound Name6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridine-2-thione
PubChem CID106787635
Molecular FormulaC9H5F3N2S2
Molecular Weight262.28 g/mol
Exact Mass261.98
IUPAC Name6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridine-2-thione
SMILESFC(F)(F)c1ncc(-c2cccc(=S)[nH]2)s1
InChIInChI=1S/C9H5F3N2S2/c10-9(11,12)8-13-4-6(16-8)5-2-1-3-7(15)14-5/h1-4H,(H,14,15)
InChIKeyYMEYEPLEEKCZMD-UHFFFAOYSA-N
XLogP3.89
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 53.89
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

(E)-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-en-1-amine
CID 106784471
(E)-N-methyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-en-1-amine
CID 106784472
(E)-N-ethyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-en-1-amine
CID 106784473
(E)-N-propyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-en-1-amine
CID 106784474
(E)-N-propan-2-yl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-en-1-amine
CID 106784475
(E)-N-tert-butyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-en-1-amine
CID 106784476
(E)-N-(2-methylpropyl)-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-en-1-amine
CID 106784477
4-(trifluoromethyl)-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridine-2-thione
CID 106787570
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

Frequently Asked Questions

What is the IUPAC name of 6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridine-2-thione?
The IUPAC name of 6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridine-2-thione (CID 106787635) is 6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridine-2-thione.
What is the SMILES notation for 6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridine-2-thione?
The canonical SMILES for 6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridine-2-thione is FC(F)(F)c1ncc(-c2cccc(=S)[nH]2)s1.
What is the InChIKey of 6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridine-2-thione?
The InChIKey is YMEYEPLEEKCZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N2S2/c10-9(11,12)8-13-4-6(16-8)5-2-1-3-7(15)14-5/h1-4H,(H,14,15).
What are the key properties of 6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridine-2-thione?
6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridine-2-thione has a molecular weight of 262.28 g/mol, XLogP of 3.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridine-2-thione is sourced from PubChem (CID 106787635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).