2-(2-chlorophenyl)-4-[4-[4-(fluoromethoxy)phenyl]phenyl]-4,5-dihydro-1,3-thiazole;fluoromethane

C24H23ClF3NOS — CID 159716577

IUPAC2-(2-chlorophenyl)-4-[4-[4-(fluoromethoxy)phenyl]phenyl]-4,5-dihydro-1,3-thiazole;fluoromethane
SMILESCF.CF.FCOc1ccc(-c2ccc(C3CSC(c4ccccc4Cl)=N3)cc2)cc1
InChIInChI=1S/C22H17ClFNOS.2CH3F/c23-20-4-2-1-3-19(20)22-25-21(13-27-22)17-7-5-15(6-8-17)16-9-11-18(12-10-16)26-14-24;2*1-2/h1-12,21H,13-14H2;2*1H3
InChIKeyMZMXKFWUWOZKQB-UHFFFAOYSA-N
MW465.97 g/mol
LogP7.72
Rot. Bonds5

About 2-(2-chlorophenyl)-4-[4-[4-(fluoromethoxy)phenyl]phenyl]-4,5-dihydro-1,3-thiazole;fluoromethane

2-(2-chlorophenyl)-4-[4-[4-(fluoromethoxy)phenyl]phenyl]-4,5-dihydro-1,3-thiazole;fluoromethane (PubChem CID 159716577) has the molecular formula C24H23ClF3NOS and a molecular weight of 465.97 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-[4-[4-(fluoromethoxy)phenyl]phenyl]-4,5-dihydro-1,3-thiazole;fluoromethane.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-[4-[4-(fluoromethoxy)phenyl]phenyl]-4,5-dihydro-1,3-thiazole;fluoromethane
PubChem CID159716577
Molecular FormulaC24H23ClF3NOS
Molecular Weight465.97 g/mol
Exact Mass465.11
IUPAC Name2-(2-chlorophenyl)-4-[4-[4-(fluoromethoxy)phenyl]phenyl]-4,5-dihydro-1,3-thiazole;fluoromethane
SMILESCF.CF.FCOc1ccc(-c2ccc(C3CSC(c4ccccc4Cl)=N3)cc2)cc1
InChIInChI=1S/C22H17ClFNOS.2CH3F/c23-20-4-2-1-3-19(20)22-25-21(13-27-22)17-7-5-15(6-8-17)16-9-11-18(12-10-16)26-14-24;2*1-2/h1-12,21H,13-14H2;2*1H3
InChIKeyMZMXKFWUWOZKQB-UHFFFAOYSA-N
XLogP7.72
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.97
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-[4-[4-(fluoromethoxy)phenyl]phenyl]-4,5-dihydro-1,3-thiazole;fluoromethane?
The IUPAC name of 2-(2-chlorophenyl)-4-[4-[4-(fluoromethoxy)phenyl]phenyl]-4,5-dihydro-1,3-thiazole;fluoromethane (CID 159716577) is 2-(2-chlorophenyl)-4-[4-[4-(fluoromethoxy)phenyl]phenyl]-4,5-dihydro-1,3-thiazole;fluoromethane.
What is the SMILES notation for 2-(2-chlorophenyl)-4-[4-[4-(fluoromethoxy)phenyl]phenyl]-4,5-dihydro-1,3-thiazole;fluoromethane?
The canonical SMILES for 2-(2-chlorophenyl)-4-[4-[4-(fluoromethoxy)phenyl]phenyl]-4,5-dihydro-1,3-thiazole;fluoromethane is CF.CF.FCOc1ccc(-c2ccc(C3CSC(c4ccccc4Cl)=N3)cc2)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-4-[4-[4-(fluoromethoxy)phenyl]phenyl]-4,5-dihydro-1,3-thiazole;fluoromethane?
The InChIKey is MZMXKFWUWOZKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClFNOS.2CH3F/c23-20-4-2-1-3-19(20)22-25-21(13-27-22)17-7-5-15(6-8-17)16-9-11-18(12-10-16)26-14-24;2*1-2/h1-12,21H,13-14H2;2*1H3.
What are the key properties of 2-(2-chlorophenyl)-4-[4-[4-(fluoromethoxy)phenyl]phenyl]-4,5-dihydro-1,3-thiazole;fluoromethane?
2-(2-chlorophenyl)-4-[4-[4-(fluoromethoxy)phenyl]phenyl]-4,5-dihydro-1,3-thiazole;fluoromethane has a molecular weight of 465.97 g/mol, XLogP of 7.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-[4-[4-(fluoromethoxy)phenyl]phenyl]-4,5-dihydro-1,3-thiazole;fluoromethane is sourced from PubChem (CID 159716577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).