5-(1H-pyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazole

C7H4F3N3S — CID 167421994

IUPAC5-(1H-pyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1ncsc1-c1cn[nH]c1
InChIInChI=1S/C7H4F3N3S/c8-7(9,10)6-5(14-3-11-6)4-1-12-13-2-4/h1-3H,(H,12,13)
InChIKeyZYZRRGWFNYUIRD-UHFFFAOYSA-N
MW219.19 g/mol
LogP2.55
Rot. Bonds1

About 5-(1H-pyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazole

5-(1H-pyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 167421994) has the molecular formula C7H4F3N3S and a molecular weight of 219.19 g/mol. Its IUPAC name is 5-(1H-pyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(1H-pyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazole
PubChem CID167421994
Molecular FormulaC7H4F3N3S
Molecular Weight219.19 g/mol
Exact Mass219.01
IUPAC Name5-(1H-pyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1ncsc1-c1cn[nH]c1
InChIInChI=1S/C7H4F3N3S/c8-7(9,10)6-5(14-3-11-6)4-1-12-13-2-4/h1-3H,(H,12,13)
InChIKeyZYZRRGWFNYUIRD-UHFFFAOYSA-N
XLogP2.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.19
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-pyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 5-(1H-pyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazole (CID 167421994) is 5-(1H-pyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 5-(1H-pyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 5-(1H-pyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazole is FC(F)(F)c1ncsc1-c1cn[nH]c1.
What is the InChIKey of 5-(1H-pyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is ZYZRRGWFNYUIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3N3S/c8-7(9,10)6-5(14-3-11-6)4-1-12-13-2-4/h1-3H,(H,12,13).
What are the key properties of 5-(1H-pyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazole?
5-(1H-pyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 219.19 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-pyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 167421994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).