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

C8H3F4N3S2 — CID 106787590

IUPAC5-fluoro-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidine-2-thione
SMILESFc1cnc(=S)[nH]c1-c1cnc(C(F)(F)F)s1
InChIInChI=1S/C8H3F4N3S2/c9-3-1-14-7(16)15-5(3)4-2-13-6(17-4)8(10,11)12/h1-2H,(H,14,15,16)
InChIKeyQEIJJZRSARKKHV-UHFFFAOYSA-N
MW281.26 g/mol
LogP3.42
Rot. Bonds1

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

5-fluoro-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidine-2-thione (PubChem CID 106787590) has the molecular formula C8H3F4N3S2 and a molecular weight of 281.26 g/mol. Its IUPAC name is 5-fluoro-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidine-2-thione.

Molecular Properties

Compound Name5-fluoro-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidine-2-thione
PubChem CID106787590
Molecular FormulaC8H3F4N3S2
Molecular Weight281.26 g/mol
Exact Mass280.97
IUPAC Name5-fluoro-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidine-2-thione
SMILESFc1cnc(=S)[nH]c1-c1cnc(C(F)(F)F)s1
InChIInChI=1S/C8H3F4N3S2/c9-3-1-14-7(16)15-5(3)4-2-13-6(17-4)8(10,11)12/h1-2H,(H,14,15,16)
InChIKeyQEIJJZRSARKKHV-UHFFFAOYSA-N
XLogP3.42
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-fluoro-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidine-2-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(trifluoromethyl)-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridine-2-thione
CID 106787570
2-tert-butyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidine-4-thione
CID 106787574
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
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
6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridine-2-thione
CID 106787635
2-ethyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidine-4-thione
CID 106787639
2-tert-butyl-5-methyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidine-4-thione
CID 106787653
2-(trifluoromethyl)-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidine-4-thione
CID 106787655

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidine-2-thione?
The IUPAC name of 5-fluoro-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidine-2-thione (CID 106787590) is 5-fluoro-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidine-2-thione.
What is the SMILES notation for 5-fluoro-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidine-2-thione?
The canonical SMILES for 5-fluoro-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidine-2-thione is Fc1cnc(=S)[nH]c1-c1cnc(C(F)(F)F)s1.
What is the InChIKey of 5-fluoro-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidine-2-thione?
The InChIKey is QEIJJZRSARKKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F4N3S2/c9-3-1-14-7(16)15-5(3)4-2-13-6(17-4)8(10,11)12/h1-2H,(H,14,15,16).
What are the key properties of 5-fluoro-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidine-2-thione?
5-fluoro-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidine-2-thione has a molecular weight of 281.26 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidine-2-thione is sourced from PubChem (CID 106787590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).