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

C20H17N3O2S2 — CID 127053152

IUPAC4-methyl-5-[2-(4-methylsulfonylphenyl)pyrazol-3-yl]-2-phenyl-1,3-thiazole
SMILESCc1nc(-c2ccccc2)sc1-c1ccnn1-c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C20H17N3O2S2/c1-14-19(26-20(22-14)15-6-4-3-5-7-15)18-12-13-21-23(18)16-8-10-17(11-9-16)27(2,24)25/h3-13H,1-2H3
InChIKeySPIQOKZSPASBRN-UHFFFAOYSA-N
MW395.51 g/mol
LogP4.37
Rot. Bonds4

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

4-methyl-5-[2-(4-methylsulfonylphenyl)pyrazol-3-yl]-2-phenyl-1,3-thiazole (PubChem CID 127053152) has the molecular formula C20H17N3O2S2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 4-methyl-5-[2-(4-methylsulfonylphenyl)pyrazol-3-yl]-2-phenyl-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-[2-(4-methylsulfonylphenyl)pyrazol-3-yl]-2-phenyl-1,3-thiazole
PubChem CID127053152
Molecular FormulaC20H17N3O2S2
Molecular Weight395.51 g/mol
Exact Mass395.08
IUPAC Name4-methyl-5-[2-(4-methylsulfonylphenyl)pyrazol-3-yl]-2-phenyl-1,3-thiazole
SMILESCc1nc(-c2ccccc2)sc1-c1ccnn1-c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C20H17N3O2S2/c1-14-19(26-20(22-14)15-6-4-3-5-7-15)18-12-13-21-23(18)16-8-10-17(11-9-16)27(2,24)25/h3-13H,1-2H3
InChIKeySPIQOKZSPASBRN-UHFFFAOYSA-N
XLogP4.37
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[2-(4-methylsulfonylphenyl)pyrazol-3-yl]-2-phenyl-1,3-thiazole?
The IUPAC name of 4-methyl-5-[2-(4-methylsulfonylphenyl)pyrazol-3-yl]-2-phenyl-1,3-thiazole (CID 127053152) is 4-methyl-5-[2-(4-methylsulfonylphenyl)pyrazol-3-yl]-2-phenyl-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-[2-(4-methylsulfonylphenyl)pyrazol-3-yl]-2-phenyl-1,3-thiazole?
The canonical SMILES for 4-methyl-5-[2-(4-methylsulfonylphenyl)pyrazol-3-yl]-2-phenyl-1,3-thiazole is Cc1nc(-c2ccccc2)sc1-c1ccnn1-c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 4-methyl-5-[2-(4-methylsulfonylphenyl)pyrazol-3-yl]-2-phenyl-1,3-thiazole?
The InChIKey is SPIQOKZSPASBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S2/c1-14-19(26-20(22-14)15-6-4-3-5-7-15)18-12-13-21-23(18)16-8-10-17(11-9-16)27(2,24)25/h3-13H,1-2H3.
What are the key properties of 4-methyl-5-[2-(4-methylsulfonylphenyl)pyrazol-3-yl]-2-phenyl-1,3-thiazole?
4-methyl-5-[2-(4-methylsulfonylphenyl)pyrazol-3-yl]-2-phenyl-1,3-thiazole has a molecular weight of 395.51 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[2-(4-methylsulfonylphenyl)pyrazol-3-yl]-2-phenyl-1,3-thiazole is sourced from PubChem (CID 127053152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).