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

C9H5F3N2S2 — CID 106787623

IUPAC2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridine-4-thione
SMILESFC(F)(F)c1ncc(-c2cc(=S)cc[nH]2)s1
InChIInChI=1S/C9H5F3N2S2/c10-9(11,12)8-14-4-7(16-8)6-3-5(15)1-2-13-6/h1-4H,(H,13,15)
InChIKeyLVIYDOXZENUOSY-UHFFFAOYSA-N
MW262.28 g/mol
LogP3.89
Rot. Bonds1

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

2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridine-4-thione (PubChem CID 106787623) has the molecular formula C9H5F3N2S2 and a molecular weight of 262.28 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridine-4-thione.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridine-4-thione
PubChem CID106787623
Molecular FormulaC9H5F3N2S2
Molecular Weight262.28 g/mol
Exact Mass261.98
IUPAC Name2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridine-4-thione
SMILESFC(F)(F)c1ncc(-c2cc(=S)cc[nH]2)s1
InChIInChI=1S/C9H5F3N2S2/c10-9(11,12)8-14-4-7(16-8)6-3-5(15)1-2-13-6/h1-4H,(H,13,15)
InChIKeyLVIYDOXZENUOSY-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
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridine-4-thione?
The IUPAC name of 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridine-4-thione (CID 106787623) is 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridine-4-thione.
What is the SMILES notation for 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridine-4-thione?
The canonical SMILES for 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridine-4-thione is FC(F)(F)c1ncc(-c2cc(=S)cc[nH]2)s1.
What is the InChIKey of 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridine-4-thione?
The InChIKey is LVIYDOXZENUOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N2S2/c10-9(11,12)8-14-4-7(16-8)6-3-5(15)1-2-13-6/h1-4H,(H,13,15).
What are the key properties of 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridine-4-thione?
2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridine-4-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 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridine-4-thione is sourced from PubChem (CID 106787623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).