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

C19H14FN3S — CID 1476746

IUPAC5-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-phenyl-1,3-thiazole
SMILESFc1ccc(Cn2ccc(-c3cnc(-c4ccccc4)s3)n2)cc1
InChIInChI=1S/C19H14FN3S/c20-16-8-6-14(7-9-16)13-23-11-10-17(22-23)18-12-21-19(24-18)15-4-2-1-3-5-15/h1-12H,13H2
InChIKeyZORHVSCAWODFPX-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.86
Rot. Bonds4

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

5-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-phenyl-1,3-thiazole (PubChem CID 1476746) has the molecular formula C19H14FN3S and a molecular weight of 335.41 g/mol. Its IUPAC name is 5-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-phenyl-1,3-thiazole.

Molecular Properties

Compound Name5-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-phenyl-1,3-thiazole
PubChem CID1476746
Molecular FormulaC19H14FN3S
Molecular Weight335.41 g/mol
Exact Mass335.09
IUPAC Name5-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-phenyl-1,3-thiazole
SMILESFc1ccc(Cn2ccc(-c3cnc(-c4ccccc4)s3)n2)cc1
InChIInChI=1S/C19H14FN3S/c20-16-8-6-14(7-9-16)13-23-11-10-17(22-23)18-12-21-19(24-18)15-4-2-1-3-5-15/h1-12H,13H2
InChIKeyZORHVSCAWODFPX-UHFFFAOYSA-N
XLogP4.86
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-phenyl-1,3-thiazole?
The IUPAC name of 5-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-phenyl-1,3-thiazole (CID 1476746) is 5-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-phenyl-1,3-thiazole.
What is the SMILES notation for 5-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-phenyl-1,3-thiazole?
The canonical SMILES for 5-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-phenyl-1,3-thiazole is Fc1ccc(Cn2ccc(-c3cnc(-c4ccccc4)s3)n2)cc1.
What is the InChIKey of 5-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-phenyl-1,3-thiazole?
The InChIKey is ZORHVSCAWODFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3S/c20-16-8-6-14(7-9-16)13-23-11-10-17(22-23)18-12-21-19(24-18)15-4-2-1-3-5-15/h1-12H,13H2.
What are the key properties of 5-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-phenyl-1,3-thiazole?
5-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-phenyl-1,3-thiazole has a molecular weight of 335.41 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-phenyl-1,3-thiazole is sourced from PubChem (CID 1476746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).