2-(4-chlorophenyl)-4-[4-(2-fluorophenyl)phenyl]-5-methyl-1,3-thiazole

C22H15ClFNS — CID 2741156

IUPAC2-(4-chlorophenyl)-4-[4-(2-fluorophenyl)phenyl]-5-methyl-1,3-thiazole
SMILESCc1sc(-c2ccc(Cl)cc2)nc1-c1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C22H15ClFNS/c1-14-21(25-22(26-14)17-10-12-18(23)13-11-17)16-8-6-15(7-9-16)19-4-2-3-5-20(19)24/h2-13H,1H3
InChIKeyPOFIZXNOWXSAPP-UHFFFAOYSA-N
MW379.89 g/mol
LogP7.25
Rot. Bonds3

About 2-(4-chlorophenyl)-4-[4-(2-fluorophenyl)phenyl]-5-methyl-1,3-thiazole

2-(4-chlorophenyl)-4-[4-(2-fluorophenyl)phenyl]-5-methyl-1,3-thiazole (PubChem CID 2741156) has the molecular formula C22H15ClFNS and a molecular weight of 379.89 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-[4-(2-fluorophenyl)phenyl]-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-[4-(2-fluorophenyl)phenyl]-5-methyl-1,3-thiazole
PubChem CID2741156
Molecular FormulaC22H15ClFNS
Molecular Weight379.89 g/mol
Exact Mass379.06
IUPAC Name2-(4-chlorophenyl)-4-[4-(2-fluorophenyl)phenyl]-5-methyl-1,3-thiazole
SMILESCc1sc(-c2ccc(Cl)cc2)nc1-c1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C22H15ClFNS/c1-14-21(25-22(26-14)17-10-12-18(23)13-11-17)16-8-6-15(7-9-16)19-4-2-3-5-20(19)24/h2-13H,1H3
InChIKeyPOFIZXNOWXSAPP-UHFFFAOYSA-N
XLogP7.25
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.89
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-[4-(2-fluorophenyl)phenyl]-5-methyl-1,3-thiazole?
The IUPAC name of 2-(4-chlorophenyl)-4-[4-(2-fluorophenyl)phenyl]-5-methyl-1,3-thiazole (CID 2741156) is 2-(4-chlorophenyl)-4-[4-(2-fluorophenyl)phenyl]-5-methyl-1,3-thiazole.
What is the SMILES notation for 2-(4-chlorophenyl)-4-[4-(2-fluorophenyl)phenyl]-5-methyl-1,3-thiazole?
The canonical SMILES for 2-(4-chlorophenyl)-4-[4-(2-fluorophenyl)phenyl]-5-methyl-1,3-thiazole is Cc1sc(-c2ccc(Cl)cc2)nc1-c1ccc(-c2ccccc2F)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-4-[4-(2-fluorophenyl)phenyl]-5-methyl-1,3-thiazole?
The InChIKey is POFIZXNOWXSAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClFNS/c1-14-21(25-22(26-14)17-10-12-18(23)13-11-17)16-8-6-15(7-9-16)19-4-2-3-5-20(19)24/h2-13H,1H3.
What are the key properties of 2-(4-chlorophenyl)-4-[4-(2-fluorophenyl)phenyl]-5-methyl-1,3-thiazole?
2-(4-chlorophenyl)-4-[4-(2-fluorophenyl)phenyl]-5-methyl-1,3-thiazole has a molecular weight of 379.89 g/mol, XLogP of 7.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-[4-(2-fluorophenyl)phenyl]-5-methyl-1,3-thiazole is sourced from PubChem (CID 2741156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).