4-[4-[3-(difluoromethyl)-1-(5-methylsulfonyl-2-pyridinyl)pyrazol-5-yl]-2-methylphenyl]-1,3-thiazole

C20H16F2N4O2S2 — CID 10297392

IUPAC4-[4-[3-(difluoromethyl)-1-(5-methylsulfonyl-2-pyridinyl)pyrazol-5-yl]-2-methylphenyl]-1,3-thiazole
SMILESCc1cc(-c2cc(C(F)F)nn2-c2ccc(S(C)(=O)=O)cn2)ccc1-c1cscn1
InChIInChI=1S/C20H16F2N4O2S2/c1-12-7-13(3-5-15(12)17-10-29-11-24-17)18-8-16(20(21)22)25-26(18)19-6-4-14(9-23-19)30(2,27)28/h3-11,20H,1-2H3
InChIKeyKHONPSMXBOXBPM-UHFFFAOYSA-N
MW446.50 g/mol
LogP4.71
Rot. Bonds5

About 4-[4-[3-(difluoromethyl)-1-(5-methylsulfonyl-2-pyridinyl)pyrazol-5-yl]-2-methylphenyl]-1,3-thiazole

4-[4-[3-(difluoromethyl)-1-(5-methylsulfonyl-2-pyridinyl)pyrazol-5-yl]-2-methylphenyl]-1,3-thiazole (PubChem CID 10297392) has the molecular formula C20H16F2N4O2S2 and a molecular weight of 446.50 g/mol. Its IUPAC name is 4-[4-[3-(difluoromethyl)-1-(5-methylsulfonyl-2-pyridinyl)pyrazol-5-yl]-2-methylphenyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[4-[3-(difluoromethyl)-1-(5-methylsulfonyl-2-pyridinyl)pyrazol-5-yl]-2-methylphenyl]-1,3-thiazole
PubChem CID10297392
Molecular FormulaC20H16F2N4O2S2
Molecular Weight446.50 g/mol
Exact Mass446.07
IUPAC Name4-[4-[3-(difluoromethyl)-1-(5-methylsulfonyl-2-pyridinyl)pyrazol-5-yl]-2-methylphenyl]-1,3-thiazole
SMILESCc1cc(-c2cc(C(F)F)nn2-c2ccc(S(C)(=O)=O)cn2)ccc1-c1cscn1
InChIInChI=1S/C20H16F2N4O2S2/c1-12-7-13(3-5-15(12)17-10-29-11-24-17)18-8-16(20(21)22)25-26(18)19-6-4-14(9-23-19)30(2,27)28/h3-11,20H,1-2H3
InChIKeyKHONPSMXBOXBPM-UHFFFAOYSA-N
XLogP4.71
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(difluoromethyl)-1-(5-methylsulfonyl-2-pyridinyl)pyrazol-5-yl]-2-methylphenyl]-1,3-thiazole?
The IUPAC name of 4-[4-[3-(difluoromethyl)-1-(5-methylsulfonyl-2-pyridinyl)pyrazol-5-yl]-2-methylphenyl]-1,3-thiazole (CID 10297392) is 4-[4-[3-(difluoromethyl)-1-(5-methylsulfonyl-2-pyridinyl)pyrazol-5-yl]-2-methylphenyl]-1,3-thiazole.
What is the SMILES notation for 4-[4-[3-(difluoromethyl)-1-(5-methylsulfonyl-2-pyridinyl)pyrazol-5-yl]-2-methylphenyl]-1,3-thiazole?
The canonical SMILES for 4-[4-[3-(difluoromethyl)-1-(5-methylsulfonyl-2-pyridinyl)pyrazol-5-yl]-2-methylphenyl]-1,3-thiazole is Cc1cc(-c2cc(C(F)F)nn2-c2ccc(S(C)(=O)=O)cn2)ccc1-c1cscn1.
What is the InChIKey of 4-[4-[3-(difluoromethyl)-1-(5-methylsulfonyl-2-pyridinyl)pyrazol-5-yl]-2-methylphenyl]-1,3-thiazole?
The InChIKey is KHONPSMXBOXBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4O2S2/c1-12-7-13(3-5-15(12)17-10-29-11-24-17)18-8-16(20(21)22)25-26(18)19-6-4-14(9-23-19)30(2,27)28/h3-11,20H,1-2H3.
What are the key properties of 4-[4-[3-(difluoromethyl)-1-(5-methylsulfonyl-2-pyridinyl)pyrazol-5-yl]-2-methylphenyl]-1,3-thiazole?
4-[4-[3-(difluoromethyl)-1-(5-methylsulfonyl-2-pyridinyl)pyrazol-5-yl]-2-methylphenyl]-1,3-thiazole has a molecular weight of 446.50 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(difluoromethyl)-1-(5-methylsulfonyl-2-pyridinyl)pyrazol-5-yl]-2-methylphenyl]-1,3-thiazole is sourced from PubChem (CID 10297392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).