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

C19H12F4N4O2S2 — CID 20601433

IUPAC4-[3-fluoro-4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-thiazole
SMILESCS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3cscn3)cc2F)nc1
InChIInChI=1S/C19H12F4N4O2S2/c1-31(28,29)12-3-5-18(24-8-12)27-16(7-17(26-27)19(21,22)23)13-4-2-11(6-14(13)20)15-9-30-10-25-15/h2-10H,1H3
InChIKeyFIQPJIJRSFQYAS-UHFFFAOYSA-N
MW468.46 g/mol
LogP4.62
Rot. Bonds4

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

4-[3-fluoro-4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-thiazole (PubChem CID 20601433) has the molecular formula C19H12F4N4O2S2 and a molecular weight of 468.46 g/mol. Its IUPAC name is 4-[3-fluoro-4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[3-fluoro-4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-thiazole
PubChem CID20601433
Molecular FormulaC19H12F4N4O2S2
Molecular Weight468.46 g/mol
Exact Mass468.03
IUPAC Name4-[3-fluoro-4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-thiazole
SMILESCS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3cscn3)cc2F)nc1
InChIInChI=1S/C19H12F4N4O2S2/c1-31(28,29)12-3-5-18(24-8-12)27-16(7-17(26-27)19(21,22)23)13-4-2-11(6-14(13)20)15-9-30-10-25-15/h2-10H,1H3
InChIKeyFIQPJIJRSFQYAS-UHFFFAOYSA-N
XLogP4.62
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.46
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-thiazole?
The IUPAC name of 4-[3-fluoro-4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-thiazole (CID 20601433) is 4-[3-fluoro-4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-thiazole.
What is the SMILES notation for 4-[3-fluoro-4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-thiazole?
The canonical SMILES for 4-[3-fluoro-4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-thiazole is CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3cscn3)cc2F)nc1.
What is the InChIKey of 4-[3-fluoro-4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-thiazole?
The InChIKey is FIQPJIJRSFQYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F4N4O2S2/c1-31(28,29)12-3-5-18(24-8-12)27-16(7-17(26-27)19(21,22)23)13-4-2-11(6-14(13)20)15-9-30-10-25-15/h2-10H,1H3.
What are the key properties of 4-[3-fluoro-4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-thiazole?
4-[3-fluoro-4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-thiazole has a molecular weight of 468.46 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-thiazole is sourced from PubChem (CID 20601433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).