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

C14H7F6N3S — CID 139219005

IUPAC2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]-4-phenyl-1,3-thiazole
SMILESFC(F)(F)c1cc(C(F)(F)F)n(-c2nc(-c3ccccc3)cs2)n1
InChIInChI=1S/C14H7F6N3S/c15-13(16,17)10-6-11(14(18,19)20)23(22-10)12-21-9(7-24-12)8-4-2-1-3-5-8/h1-7H
InChIKeyJNJUGRJSXBCNGZ-UHFFFAOYSA-N
MW363.29 g/mol
LogP5.03
Rot. Bonds2

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

2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]-4-phenyl-1,3-thiazole (PubChem CID 139219005) has the molecular formula C14H7F6N3S and a molecular weight of 363.29 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]-4-phenyl-1,3-thiazole
PubChem CID139219005
Molecular FormulaC14H7F6N3S
Molecular Weight363.29 g/mol
Exact Mass363.03
IUPAC Name2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]-4-phenyl-1,3-thiazole
SMILESFC(F)(F)c1cc(C(F)(F)F)n(-c2nc(-c3ccccc3)cs2)n1
InChIInChI=1S/C14H7F6N3S/c15-13(16,17)10-6-11(14(18,19)20)23(22-10)12-21-9(7-24-12)8-4-2-1-3-5-8/h1-7H
InChIKeyJNJUGRJSXBCNGZ-UHFFFAOYSA-N
XLogP5.03
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.29
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]-4-phenyl-1,3-thiazole?
The IUPAC name of 2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]-4-phenyl-1,3-thiazole (CID 139219005) is 2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]-4-phenyl-1,3-thiazole.
What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]-4-phenyl-1,3-thiazole?
The canonical SMILES for 2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]-4-phenyl-1,3-thiazole is FC(F)(F)c1cc(C(F)(F)F)n(-c2nc(-c3ccccc3)cs2)n1.
What is the InChIKey of 2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]-4-phenyl-1,3-thiazole?
The InChIKey is JNJUGRJSXBCNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F6N3S/c15-13(16,17)10-6-11(14(18,19)20)23(22-10)12-21-9(7-24-12)8-4-2-1-3-5-8/h1-7H.
What are the key properties of 2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]-4-phenyl-1,3-thiazole?
2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]-4-phenyl-1,3-thiazole has a molecular weight of 363.29 g/mol, XLogP of 5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]-4-phenyl-1,3-thiazole is sourced from PubChem (CID 139219005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).