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

C22H17F2NOS — CID 15008019

IUPAC2-(2,6-difluorophenyl)-4-[4-(4-methoxyphenyl)phenyl]-4,5-dihydro-1,3-thiazole
SMILESCOc1ccc(-c2ccc(C3CSC(c4c(F)cccc4F)=N3)cc2)cc1
InChIInChI=1S/C22H17F2NOS/c1-26-17-11-9-15(10-12-17)14-5-7-16(8-6-14)20-13-27-22(25-20)21-18(23)3-2-4-19(21)24/h2-12,20H,13H2,1H3
InChIKeySETQZCAJZHCKRQ-UHFFFAOYSA-N
MW381.45 g/mol
LogP5.88
Rot. Bonds4

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

2-(2,6-difluorophenyl)-4-[4-(4-methoxyphenyl)phenyl]-4,5-dihydro-1,3-thiazole (PubChem CID 15008019) has the molecular formula C22H17F2NOS and a molecular weight of 381.45 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-[4-(4-methoxyphenyl)phenyl]-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4-[4-(4-methoxyphenyl)phenyl]-4,5-dihydro-1,3-thiazole
PubChem CID15008019
Molecular FormulaC22H17F2NOS
Molecular Weight381.45 g/mol
Exact Mass381.10
IUPAC Name2-(2,6-difluorophenyl)-4-[4-(4-methoxyphenyl)phenyl]-4,5-dihydro-1,3-thiazole
SMILESCOc1ccc(-c2ccc(C3CSC(c4c(F)cccc4F)=N3)cc2)cc1
InChIInChI=1S/C22H17F2NOS/c1-26-17-11-9-15(10-12-17)14-5-7-16(8-6-14)20-13-27-22(25-20)21-18(23)3-2-4-19(21)24/h2-12,20H,13H2,1H3
InChIKeySETQZCAJZHCKRQ-UHFFFAOYSA-N
XLogP5.88
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.45
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-4-[4-(4-methoxyphenyl)phenyl]-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-(2,6-difluorophenyl)-4-[4-(4-methoxyphenyl)phenyl]-4,5-dihydro-1,3-thiazole (CID 15008019) is 2-(2,6-difluorophenyl)-4-[4-(4-methoxyphenyl)phenyl]-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4-[4-(4-methoxyphenyl)phenyl]-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-(2,6-difluorophenyl)-4-[4-(4-methoxyphenyl)phenyl]-4,5-dihydro-1,3-thiazole is COc1ccc(-c2ccc(C3CSC(c4c(F)cccc4F)=N3)cc2)cc1.
What is the InChIKey of 2-(2,6-difluorophenyl)-4-[4-(4-methoxyphenyl)phenyl]-4,5-dihydro-1,3-thiazole?
The InChIKey is SETQZCAJZHCKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2NOS/c1-26-17-11-9-15(10-12-17)14-5-7-16(8-6-14)20-13-27-22(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-methoxyphenyl)phenyl]-4,5-dihydro-1,3-thiazole?
2-(2,6-difluorophenyl)-4-[4-(4-methoxyphenyl)phenyl]-4,5-dihydro-1,3-thiazole has a molecular weight of 381.45 g/mol, XLogP of 5.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-4-[4-(4-methoxyphenyl)phenyl]-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 15008019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).