4-(2-fluorophenyl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole

C13H7F4N3S — CID 4846643

IUPAC4-(2-fluorophenyl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole
SMILESFc1ccccc1-c1csc(-n2nccc2C(F)(F)F)n1
InChIInChI=1S/C13H7F4N3S/c14-9-4-2-1-3-8(9)10-7-21-12(19-10)20-11(5-6-18-20)13(15,16)17/h1-7H
InChIKeyJLUCDOPIGYZZOW-UHFFFAOYSA-N
MW313.28 g/mol
LogP4.15
Rot. Bonds2

About 4-(2-fluorophenyl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole

4-(2-fluorophenyl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole (PubChem CID 4846643) has the molecular formula C13H7F4N3S and a molecular weight of 313.28 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-(2-fluorophenyl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole
PubChem CID4846643
Molecular FormulaC13H7F4N3S
Molecular Weight313.28 g/mol
Exact Mass313.03
IUPAC Name4-(2-fluorophenyl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole
SMILESFc1ccccc1-c1csc(-n2nccc2C(F)(F)F)n1
InChIInChI=1S/C13H7F4N3S/c14-9-4-2-1-3-8(9)10-7-21-12(19-10)20-11(5-6-18-20)13(15,16)17/h1-7H
InChIKeyJLUCDOPIGYZZOW-UHFFFAOYSA-N
XLogP4.15
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole?
The IUPAC name of 4-(2-fluorophenyl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole (CID 4846643) is 4-(2-fluorophenyl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole.
What is the SMILES notation for 4-(2-fluorophenyl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole?
The canonical SMILES for 4-(2-fluorophenyl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole is Fc1ccccc1-c1csc(-n2nccc2C(F)(F)F)n1.
What is the InChIKey of 4-(2-fluorophenyl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole?
The InChIKey is JLUCDOPIGYZZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F4N3S/c14-9-4-2-1-3-8(9)10-7-21-12(19-10)20-11(5-6-18-20)13(15,16)17/h1-7H.
What are the key properties of 4-(2-fluorophenyl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole?
4-(2-fluorophenyl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole has a molecular weight of 313.28 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole is sourced from PubChem (CID 4846643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).