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

C8H3F6N3S — CID 141497303

IUPAC4-(trifluoromethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole
SMILESFC(F)(F)c1csc(-n2ccc(C(F)(F)F)n2)n1
InChIInChI=1S/C8H3F6N3S/c9-7(10,11)4-1-2-17(16-4)6-15-5(3-18-6)8(12,13)14/h1-3H
InChIKeyJKIVMKLACNQKPG-UHFFFAOYSA-N
MW287.19 g/mol
LogP3.37
Rot. Bonds1

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

4-(trifluoromethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole (PubChem CID 141497303) has the molecular formula C8H3F6N3S and a molecular weight of 287.19 g/mol. Its IUPAC name is 4-(trifluoromethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-(trifluoromethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole
PubChem CID141497303
Molecular FormulaC8H3F6N3S
Molecular Weight287.19 g/mol
Exact Mass287.00
IUPAC Name4-(trifluoromethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole
SMILESFC(F)(F)c1csc(-n2ccc(C(F)(F)F)n2)n1
InChIInChI=1S/C8H3F6N3S/c9-7(10,11)4-1-2-17(16-4)6-15-5(3-18-6)8(12,13)14/h1-3H
InChIKeyJKIVMKLACNQKPG-UHFFFAOYSA-N
XLogP3.37
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-5-[3-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-2-amine
CID 19616606
3-Trifluoromethyl-1-(2-thiazolyl)pyrazole
CID 122641792
2-[3-Methyl-5-(trifluoromethyl)pyrazol-1-yl]-4-(pyrazol-1-ylmethyl)-1,3-thiazole
CID 1482186
2-[4-Bromo-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole
CID 118016480
2-Pyrazol-1-yl-4-(trifluoromethyl)-1,3-thiazole
CID 122641793
4-Ethyl-2-(4-fluoropyrazol-1-yl)-1,3-thiazole
CID 170039715
2-[5-(Difluoromethyl)pyrazol-1-yl]-5-methyl-1,3-thiazole
CID 173589740
2-[5-Methyl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole
CID 174731377
2-[3-(5-Chloro-6,6,6-trifluorohexyl)pyrazol-1-yl]-4-(trifluoromethyl)-1,3-thiazole
CID 174877545
1-Chloropentane;4-(trifluoromethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole
CID 174877546
2-[1-(2,2-Difluoroethyl)pyrazol-3-yl]-1,3-thiazol-4-amine
CID 176185214
1-(1,3-Thiazol-2-yl)-5-(trifluoromethyl)pyrazol-4-amine
CID 176658928

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole?
The IUPAC name of 4-(trifluoromethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole (CID 141497303) is 4-(trifluoromethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole.
What is the SMILES notation for 4-(trifluoromethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole?
The canonical SMILES for 4-(trifluoromethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole is FC(F)(F)c1csc(-n2ccc(C(F)(F)F)n2)n1.
What is the InChIKey of 4-(trifluoromethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole?
The InChIKey is JKIVMKLACNQKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F6N3S/c9-7(10,11)4-1-2-17(16-4)6-15-5(3-18-6)8(12,13)14/h1-3H.
What are the key properties of 4-(trifluoromethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole?
4-(trifluoromethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole has a molecular weight of 287.19 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole is sourced from PubChem (CID 141497303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).