2-pyrazol-1-yl-4-(trifluoromethyl)-1,3-thiazole

C7H4F3N3S — CID 122641793

IUPAC2-pyrazol-1-yl-4-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1csc(-n2cccn2)n1
InChIInChI=1S/C7H4F3N3S/c8-7(9,10)5-4-14-6(12-5)13-3-1-2-11-13/h1-4H
InChIKeySSYKIZQPTVKTMD-UHFFFAOYSA-N
MW219.19 g/mol
LogP2.35
Rot. Bonds1

About 2-pyrazol-1-yl-4-(trifluoromethyl)-1,3-thiazole

2-pyrazol-1-yl-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 122641793) has the molecular formula C7H4F3N3S and a molecular weight of 219.19 g/mol. Its IUPAC name is 2-pyrazol-1-yl-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-pyrazol-1-yl-4-(trifluoromethyl)-1,3-thiazole
PubChem CID122641793
Molecular FormulaC7H4F3N3S
Molecular Weight219.19 g/mol
Exact Mass219.01
IUPAC Name2-pyrazol-1-yl-4-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1csc(-n2cccn2)n1
InChIInChI=1S/C7H4F3N3S/c8-7(9,10)5-4-14-6(12-5)13-3-1-2-11-13/h1-4H
InChIKeySSYKIZQPTVKTMD-UHFFFAOYSA-N
XLogP2.35
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.19
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-yl-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-pyrazol-1-yl-4-(trifluoromethyl)-1,3-thiazole (CID 122641793) is 2-pyrazol-1-yl-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-pyrazol-1-yl-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-pyrazol-1-yl-4-(trifluoromethyl)-1,3-thiazole is FC(F)(F)c1csc(-n2cccn2)n1.
What is the InChIKey of 2-pyrazol-1-yl-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is SSYKIZQPTVKTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3N3S/c8-7(9,10)5-4-14-6(12-5)13-3-1-2-11-13/h1-4H.
What are the key properties of 2-pyrazol-1-yl-4-(trifluoromethyl)-1,3-thiazole?
2-pyrazol-1-yl-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 219.19 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-yl-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 122641793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).