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

C7H4F3N3S — CID 122641792

IUPAC2-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole
SMILESFC(F)(F)c1ccn(-c2nccs2)n1
InChIInChI=1S/C7H4F3N3S/c8-7(9,10)5-1-3-13(12-5)6-11-2-4-14-6/h1-4H
InChIKeySQKSTFLVGOPYQL-UHFFFAOYSA-N
MW219.19 g/mol
LogP2.35
Rot. Bonds1

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

2-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole (PubChem CID 122641792) has the molecular formula C7H4F3N3S and a molecular weight of 219.19 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole
PubChem CID122641792
Molecular FormulaC7H4F3N3S
Molecular Weight219.19 g/mol
Exact Mass219.01
IUPAC Name2-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole
SMILESFC(F)(F)c1ccn(-c2nccs2)n1
InChIInChI=1S/C7H4F3N3S/c8-7(9,10)5-1-3-13(12-5)6-11-2-4-14-6/h1-4H
InChIKeySQKSTFLVGOPYQL-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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Related Compounds

2-(1H-pyrazol-1-yl)thiazole
CID 14387157
2-(4-bromo-3-methyl-1H-pyrazol-1-yl)-1,3-thiazole
CID 118016433
N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 8762702
N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3-thiazol-2-amine
CID 102188654
2-[[3-(Trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazole
CID 91186241
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-(Trifluoromethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole
CID 141497303
5-Methyl-1-(trifluoromethyl)pyrazole;2-(trifluoromethyl)-1,3-thiazole
CID 161488220
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

Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole?
The IUPAC name of 2-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole (CID 122641792) is 2-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole is FC(F)(F)c1ccn(-c2nccs2)n1.
What is the InChIKey of 2-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole?
The InChIKey is SQKSTFLVGOPYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3N3S/c8-7(9,10)5-1-3-13(12-5)6-11-2-4-14-6/h1-4H.
What are the key properties of 2-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole?
2-[3-(trifluoromethyl)pyrazol-1-yl]-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-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole is sourced from PubChem (CID 122641792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).