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

C20H15F3N4O2S2 — CID 20601454

IUPAC5-methyl-4-[4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-thiazole
SMILESCc1scnc1-c1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(C)(=O)=O)cn2)cc1
InChIInChI=1S/C20H15F3N4O2S2/c1-12-19(25-11-30-12)14-5-3-13(4-6-14)16-9-17(20(21,22)23)26-27(16)18-8-7-15(10-24-18)31(2,28)29/h3-11H,1-2H3
InChIKeyRJDSGKQETJPZIH-UHFFFAOYSA-N
MW464.49 g/mol
LogP4.79
Rot. Bonds4

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

5-methyl-4-[4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-thiazole (PubChem CID 20601454) has the molecular formula C20H15F3N4O2S2 and a molecular weight of 464.49 g/mol. Its IUPAC name is 5-methyl-4-[4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-thiazole.

Molecular Properties

Compound Name5-methyl-4-[4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-thiazole
PubChem CID20601454
Molecular FormulaC20H15F3N4O2S2
Molecular Weight464.49 g/mol
Exact Mass464.06
IUPAC Name5-methyl-4-[4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-thiazole
SMILESCc1scnc1-c1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(C)(=O)=O)cn2)cc1
InChIInChI=1S/C20H15F3N4O2S2/c1-12-19(25-11-30-12)14-5-3-13(4-6-14)16-9-17(20(21,22)23)26-27(16)18-8-7-15(10-24-18)31(2,28)29/h3-11H,1-2H3
InChIKeyRJDSGKQETJPZIH-UHFFFAOYSA-N
XLogP4.79
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.49
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-thiazole?
The IUPAC name of 5-methyl-4-[4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-thiazole (CID 20601454) is 5-methyl-4-[4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-thiazole.
What is the SMILES notation for 5-methyl-4-[4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-thiazole?
The canonical SMILES for 5-methyl-4-[4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-thiazole is Cc1scnc1-c1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(C)(=O)=O)cn2)cc1.
What is the InChIKey of 5-methyl-4-[4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-thiazole?
The InChIKey is RJDSGKQETJPZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O2S2/c1-12-19(25-11-30-12)14-5-3-13(4-6-14)16-9-17(20(21,22)23)26-27(16)18-8-7-15(10-24-18)31(2,28)29/h3-11H,1-2H3.
What are the key properties of 5-methyl-4-[4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-thiazole?
5-methyl-4-[4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-thiazole has a molecular weight of 464.49 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-thiazole is sourced from PubChem (CID 20601454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).