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

C18H12FN3O2S2 — CID 1476742

IUPAC5-[1-(4-fluorophenyl)sulfonylpyrazol-3-yl]-2-phenyl-1,3-thiazole
SMILESO=S(=O)(c1ccc(F)cc1)n1ccc(-c2cnc(-c3ccccc3)s2)n1
InChIInChI=1S/C18H12FN3O2S2/c19-14-6-8-15(9-7-14)26(23,24)22-11-10-16(21-22)17-12-20-18(25-17)13-4-2-1-3-5-13/h1-12H
InChIKeyKYIWXQOFAPTVCE-UHFFFAOYSA-N
MW385.45 g/mol
LogP4.05
Rot. Bonds4

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

5-[1-(4-fluorophenyl)sulfonylpyrazol-3-yl]-2-phenyl-1,3-thiazole (PubChem CID 1476742) has the molecular formula C18H12FN3O2S2 and a molecular weight of 385.45 g/mol. Its IUPAC name is 5-[1-(4-fluorophenyl)sulfonylpyrazol-3-yl]-2-phenyl-1,3-thiazole.

Molecular Properties

Compound Name5-[1-(4-fluorophenyl)sulfonylpyrazol-3-yl]-2-phenyl-1,3-thiazole
PubChem CID1476742
Molecular FormulaC18H12FN3O2S2
Molecular Weight385.45 g/mol
Exact Mass385.04
IUPAC Name5-[1-(4-fluorophenyl)sulfonylpyrazol-3-yl]-2-phenyl-1,3-thiazole
SMILESO=S(=O)(c1ccc(F)cc1)n1ccc(-c2cnc(-c3ccccc3)s2)n1
InChIInChI=1S/C18H12FN3O2S2/c19-14-6-8-15(9-7-14)26(23,24)22-11-10-16(21-22)17-12-20-18(25-17)13-4-2-1-3-5-13/h1-12H
InChIKeyKYIWXQOFAPTVCE-UHFFFAOYSA-N
XLogP4.05
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-fluorophenyl)sulfonylpyrazol-3-yl]-2-phenyl-1,3-thiazole?
The IUPAC name of 5-[1-(4-fluorophenyl)sulfonylpyrazol-3-yl]-2-phenyl-1,3-thiazole (CID 1476742) is 5-[1-(4-fluorophenyl)sulfonylpyrazol-3-yl]-2-phenyl-1,3-thiazole.
What is the SMILES notation for 5-[1-(4-fluorophenyl)sulfonylpyrazol-3-yl]-2-phenyl-1,3-thiazole?
The canonical SMILES for 5-[1-(4-fluorophenyl)sulfonylpyrazol-3-yl]-2-phenyl-1,3-thiazole is O=S(=O)(c1ccc(F)cc1)n1ccc(-c2cnc(-c3ccccc3)s2)n1.
What is the InChIKey of 5-[1-(4-fluorophenyl)sulfonylpyrazol-3-yl]-2-phenyl-1,3-thiazole?
The InChIKey is KYIWXQOFAPTVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3O2S2/c19-14-6-8-15(9-7-14)26(23,24)22-11-10-16(21-22)17-12-20-18(25-17)13-4-2-1-3-5-13/h1-12H.
What are the key properties of 5-[1-(4-fluorophenyl)sulfonylpyrazol-3-yl]-2-phenyl-1,3-thiazole?
5-[1-(4-fluorophenyl)sulfonylpyrazol-3-yl]-2-phenyl-1,3-thiazole has a molecular weight of 385.45 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-fluorophenyl)sulfonylpyrazol-3-yl]-2-phenyl-1,3-thiazole is sourced from PubChem (CID 1476742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).