2-[4-(2-chloro-4-methoxyphenyl)phenyl]-4-(3,4-dichlorophenyl)-1,3-thiazole

C22H14Cl3NOS — CID 89454743

IUPAC2-[4-(2-chloro-4-methoxyphenyl)phenyl]-4-(3,4-dichlorophenyl)-1,3-thiazole
SMILESCOc1ccc(-c2ccc(-c3nc(-c4ccc(Cl)c(Cl)c4)cs3)cc2)c(Cl)c1
InChIInChI=1S/C22H14Cl3NOS/c1-27-16-7-8-17(19(24)11-16)13-2-4-14(5-3-13)22-26-21(12-28-22)15-6-9-18(23)20(25)10-15/h2-12H,1H3
InChIKeyVLEQUAXPNPPCNA-UHFFFAOYSA-N
MW446.79 g/mol
LogP8.11
Rot. Bonds4

About 2-[4-(2-chloro-4-methoxyphenyl)phenyl]-4-(3,4-dichlorophenyl)-1,3-thiazole

2-[4-(2-chloro-4-methoxyphenyl)phenyl]-4-(3,4-dichlorophenyl)-1,3-thiazole (PubChem CID 89454743) has the molecular formula C22H14Cl3NOS and a molecular weight of 446.79 g/mol. Its IUPAC name is 2-[4-(2-chloro-4-methoxyphenyl)phenyl]-4-(3,4-dichlorophenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(2-chloro-4-methoxyphenyl)phenyl]-4-(3,4-dichlorophenyl)-1,3-thiazole
PubChem CID89454743
Molecular FormulaC22H14Cl3NOS
Molecular Weight446.79 g/mol
Exact Mass444.99
IUPAC Name2-[4-(2-chloro-4-methoxyphenyl)phenyl]-4-(3,4-dichlorophenyl)-1,3-thiazole
SMILESCOc1ccc(-c2ccc(-c3nc(-c4ccc(Cl)c(Cl)c4)cs3)cc2)c(Cl)c1
InChIInChI=1S/C22H14Cl3NOS/c1-27-16-7-8-17(19(24)11-16)13-2-4-14(5-3-13)22-26-21(12-28-22)15-6-9-18(23)20(25)10-15/h2-12H,1H3
InChIKeyVLEQUAXPNPPCNA-UHFFFAOYSA-N
XLogP8.11
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.79
LogP ≤ 58.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[4-(2-chloro-4-methoxyphenyl)phenyl]-4-(3,4-dichlorophenyl)-1,3-thiazole with MolForge

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Related Compounds

2-(2-chloro-5-methoxyphenyl)-5-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]benzoic acid
CID 86679847
[5-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)phenyl] hydrogen carbonate
CID 118450958
2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole;hydrobromide
CID 171114672
4-(3,4-dichlorophenyl)-2-[4-(2,5-difluorophenyl)phenyl]-1,3-thiazole
CID 89454701
4-(2,4-dimethoxyphenyl)-2-pyridin-4-yl-1,3-thiazole
CID 23408094
2-(2-chloro-4-methoxyphenyl)-N-methyl-1,3-thiazol-4-amine
CID 116864439
4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]benzoic acid
CID 1473794
methyl 2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]benzoate
CID 174727553
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]aniline
CID 61268827
4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzene-1,2-diol
CID 170172156
4-(3,4-dichlorophenyl)-2-[4-(1,3-dithiolan-2-yl)phenyl]-1,3-thiazole
CID 2742426
1-[2-(2-chloro-4-methoxyphenyl)-1,3-thiazol-4-yl]ethanone
CID 116890216

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chloro-4-methoxyphenyl)phenyl]-4-(3,4-dichlorophenyl)-1,3-thiazole?
The IUPAC name of 2-[4-(2-chloro-4-methoxyphenyl)phenyl]-4-(3,4-dichlorophenyl)-1,3-thiazole (CID 89454743) is 2-[4-(2-chloro-4-methoxyphenyl)phenyl]-4-(3,4-dichlorophenyl)-1,3-thiazole.
What is the SMILES notation for 2-[4-(2-chloro-4-methoxyphenyl)phenyl]-4-(3,4-dichlorophenyl)-1,3-thiazole?
The canonical SMILES for 2-[4-(2-chloro-4-methoxyphenyl)phenyl]-4-(3,4-dichlorophenyl)-1,3-thiazole is COc1ccc(-c2ccc(-c3nc(-c4ccc(Cl)c(Cl)c4)cs3)cc2)c(Cl)c1.
What is the InChIKey of 2-[4-(2-chloro-4-methoxyphenyl)phenyl]-4-(3,4-dichlorophenyl)-1,3-thiazole?
The InChIKey is VLEQUAXPNPPCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl3NOS/c1-27-16-7-8-17(19(24)11-16)13-2-4-14(5-3-13)22-26-21(12-28-22)15-6-9-18(23)20(25)10-15/h2-12H,1H3.
What are the key properties of 2-[4-(2-chloro-4-methoxyphenyl)phenyl]-4-(3,4-dichlorophenyl)-1,3-thiazole?
2-[4-(2-chloro-4-methoxyphenyl)phenyl]-4-(3,4-dichlorophenyl)-1,3-thiazole has a molecular weight of 446.79 g/mol, XLogP of 8.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chloro-4-methoxyphenyl)phenyl]-4-(3,4-dichlorophenyl)-1,3-thiazole is sourced from PubChem (CID 89454743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).