2-(2,6-difluorophenyl)-4-[4-(4-methylphenyl)phenyl]-4,5-dihydro-1,3-thiazole

C22H17F2NS — CID 20668727

IUPAC2-(2,6-difluorophenyl)-4-[4-(4-methylphenyl)phenyl]-4,5-dihydro-1,3-thiazole
SMILESCc1ccc(-c2ccc(C3CSC(c4c(F)cccc4F)=N3)cc2)cc1
InChIInChI=1S/C22H17F2NS/c1-14-5-7-15(8-6-14)16-9-11-17(12-10-16)20-13-26-22(25-20)21-18(23)3-2-4-19(21)24/h2-12,20H,13H2,1H3
InChIKeyOSORNUBFNJLWPG-UHFFFAOYSA-N
MW365.45 g/mol
LogP6.17
Rot. Bonds3

About 2-(2,6-difluorophenyl)-4-[4-(4-methylphenyl)phenyl]-4,5-dihydro-1,3-thiazole

2-(2,6-difluorophenyl)-4-[4-(4-methylphenyl)phenyl]-4,5-dihydro-1,3-thiazole (PubChem CID 20668727) has the molecular formula C22H17F2NS and a molecular weight of 365.45 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-[4-(4-methylphenyl)phenyl]-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4-[4-(4-methylphenyl)phenyl]-4,5-dihydro-1,3-thiazole
PubChem CID20668727
Molecular FormulaC22H17F2NS
Molecular Weight365.45 g/mol
Exact Mass365.10
IUPAC Name2-(2,6-difluorophenyl)-4-[4-(4-methylphenyl)phenyl]-4,5-dihydro-1,3-thiazole
SMILESCc1ccc(-c2ccc(C3CSC(c4c(F)cccc4F)=N3)cc2)cc1
InChIInChI=1S/C22H17F2NS/c1-14-5-7-15(8-6-14)16-9-11-17(12-10-16)20-13-26-22(25-20)21-18(23)3-2-4-19(21)24/h2-12,20H,13H2,1H3
InChIKeyOSORNUBFNJLWPG-UHFFFAOYSA-N
XLogP6.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.45
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-4-[4-(4-methylphenyl)phenyl]-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-(2,6-difluorophenyl)-4-[4-(4-methylphenyl)phenyl]-4,5-dihydro-1,3-thiazole (CID 20668727) is 2-(2,6-difluorophenyl)-4-[4-(4-methylphenyl)phenyl]-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4-[4-(4-methylphenyl)phenyl]-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-(2,6-difluorophenyl)-4-[4-(4-methylphenyl)phenyl]-4,5-dihydro-1,3-thiazole is Cc1ccc(-c2ccc(C3CSC(c4c(F)cccc4F)=N3)cc2)cc1.
What is the InChIKey of 2-(2,6-difluorophenyl)-4-[4-(4-methylphenyl)phenyl]-4,5-dihydro-1,3-thiazole?
The InChIKey is OSORNUBFNJLWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2NS/c1-14-5-7-15(8-6-14)16-9-11-17(12-10-16)20-13-26-22(25-20)21-18(23)3-2-4-19(21)24/h2-12,20H,13H2,1H3.
What are the key properties of 2-(2,6-difluorophenyl)-4-[4-(4-methylphenyl)phenyl]-4,5-dihydro-1,3-thiazole?
2-(2,6-difluorophenyl)-4-[4-(4-methylphenyl)phenyl]-4,5-dihydro-1,3-thiazole has a molecular weight of 365.45 g/mol, XLogP of 6.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-4-[4-(4-methylphenyl)phenyl]-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 20668727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).