4-(3,4-dichlorophenyl)-2-[4-(2,5-difluorophenyl)phenyl]-1,3-thiazole

C21H11Cl2F2NS — CID 89454701

IUPAC4-(3,4-dichlorophenyl)-2-[4-(2,5-difluorophenyl)phenyl]-1,3-thiazole
SMILESFc1ccc(F)c(-c2ccc(-c3nc(-c4ccc(Cl)c(Cl)c4)cs3)cc2)c1
InChIInChI=1S/C21H11Cl2F2NS/c22-17-7-5-14(9-18(17)23)20-11-27-21(26-20)13-3-1-12(2-4-13)16-10-15(24)6-8-19(16)25/h1-11H
InChIKeyORUJMQZUBNUSGP-UHFFFAOYSA-N
MW418.30 g/mol
LogP7.73
Rot. Bonds3

About 4-(3,4-dichlorophenyl)-2-[4-(2,5-difluorophenyl)phenyl]-1,3-thiazole

4-(3,4-dichlorophenyl)-2-[4-(2,5-difluorophenyl)phenyl]-1,3-thiazole (PubChem CID 89454701) has the molecular formula C21H11Cl2F2NS and a molecular weight of 418.30 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-2-[4-(2,5-difluorophenyl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-2-[4-(2,5-difluorophenyl)phenyl]-1,3-thiazole
PubChem CID89454701
Molecular FormulaC21H11Cl2F2NS
Molecular Weight418.30 g/mol
Exact Mass417.00
IUPAC Name4-(3,4-dichlorophenyl)-2-[4-(2,5-difluorophenyl)phenyl]-1,3-thiazole
SMILESFc1ccc(F)c(-c2ccc(-c3nc(-c4ccc(Cl)c(Cl)c4)cs3)cc2)c1
InChIInChI=1S/C21H11Cl2F2NS/c22-17-7-5-14(9-18(17)23)20-11-27-21(26-20)13-3-1-12(2-4-13)16-10-15(24)6-8-19(16)25/h1-11H
InChIKeyORUJMQZUBNUSGP-UHFFFAOYSA-N
XLogP7.73
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.30
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2,4-Dichlorophenyl)cyclopropyl]-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 2741038
2-(4-Chloro-2-methylphenyl)-4-phenyl-1,3-thiazole
CID 71450755
2-(3-Chloro-2-methylphenyl)-4-phenyl-1,3-thiazole
CID 71461520
2-(2,3-Dichlorophenyl)-4-phenyl-1,3-thiazole
CID 71463263
2-(5-Chloro-2-methylphenyl)-4-phenyl-1,3-thiazole
CID 71463264
2-(4-Chlorophenyl)-4-[4-(2-fluorophenyl)phenyl]-5-methyl-1,3-thiazole
CID 2741156
4-(4-Chlorophenyl)-2-phenyl-1,3-thiazole
CID 677859
2-(2,5-Dichlorophenyl)-4-phenyl-1,3-thiazole
CID 71450754
(2E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)prop-2-enenitrile
CID 5720612
2-[4-(3,4-Dichlorophenyl)-1,3-thiazol-2-yl]acetonitrile
CID 716375
US9969726, Example 24
CID 130289530
(E)-4-(4-Chlorophenyl)-2-(3-(pyren-1-yl)allyl)thiazole (10)
CID 126842665

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-2-[4-(2,5-difluorophenyl)phenyl]-1,3-thiazole?
The IUPAC name of 4-(3,4-dichlorophenyl)-2-[4-(2,5-difluorophenyl)phenyl]-1,3-thiazole (CID 89454701) is 4-(3,4-dichlorophenyl)-2-[4-(2,5-difluorophenyl)phenyl]-1,3-thiazole.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-2-[4-(2,5-difluorophenyl)phenyl]-1,3-thiazole?
The canonical SMILES for 4-(3,4-dichlorophenyl)-2-[4-(2,5-difluorophenyl)phenyl]-1,3-thiazole is Fc1ccc(F)c(-c2ccc(-c3nc(-c4ccc(Cl)c(Cl)c4)cs3)cc2)c1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-2-[4-(2,5-difluorophenyl)phenyl]-1,3-thiazole?
The InChIKey is ORUJMQZUBNUSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11Cl2F2NS/c22-17-7-5-14(9-18(17)23)20-11-27-21(26-20)13-3-1-12(2-4-13)16-10-15(24)6-8-19(16)25/h1-11H.
What are the key properties of 4-(3,4-dichlorophenyl)-2-[4-(2,5-difluorophenyl)phenyl]-1,3-thiazole?
4-(3,4-dichlorophenyl)-2-[4-(2,5-difluorophenyl)phenyl]-1,3-thiazole has a molecular weight of 418.30 g/mol, XLogP of 7.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-2-[4-(2,5-difluorophenyl)phenyl]-1,3-thiazole is sourced from PubChem (CID 89454701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).