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

C22H15Cl2NOS — CID 4031287

IUPAC4-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-2-phenyl-1,3-thiazole
SMILESClc1ccc(COc2ccc(-c3csc(-c4ccccc4)n3)cc2)cc1Cl
InChIInChI=1S/C22H15Cl2NOS/c23-19-11-6-15(12-20(19)24)13-26-18-9-7-16(8-10-18)21-14-27-22(25-21)17-4-2-1-3-5-17/h1-12,14H,13H2
InChIKeyDBLKCDKVPWCKJK-UHFFFAOYSA-N
MW412.34 g/mol
LogP7.36
Rot. Bonds5

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

4-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-2-phenyl-1,3-thiazole (PubChem CID 4031287) has the molecular formula C22H15Cl2NOS and a molecular weight of 412.34 g/mol. Its IUPAC name is 4-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-2-phenyl-1,3-thiazole.

Molecular Properties

Compound Name4-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-2-phenyl-1,3-thiazole
PubChem CID4031287
Molecular FormulaC22H15Cl2NOS
Molecular Weight412.34 g/mol
Exact Mass411.03
IUPAC Name4-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-2-phenyl-1,3-thiazole
SMILESClc1ccc(COc2ccc(-c3csc(-c4ccccc4)n3)cc2)cc1Cl
InChIInChI=1S/C22H15Cl2NOS/c23-19-11-6-15(12-20(19)24)13-26-18-9-7-16(8-10-18)21-14-27-22(25-21)17-4-2-1-3-5-17/h1-12,14H,13H2
InChIKeyDBLKCDKVPWCKJK-UHFFFAOYSA-N
XLogP7.36
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.34
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(chloromethyl)-4-(4-phenylmethoxyphenyl)-1,3-thiazole
CID 62922890
2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole;hydrobromide
CID 171114672
4-(chloromethyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazole
CID 43322647
2-methyl-4-(4-phenylmethoxyphenyl)-1,3-thiazole
CID 132533720
4-[(3,4-dichlorophenyl)methoxy]-2-phenyl-6-(trifluoromethyl)pyridine
CID 8812883
2-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide
CID 42865886
1,2-dichloro-4-[[4-(chloromethyl)phenoxy]methyl]benzene
CID 22280207
[4-[(3,4-dichlorophenyl)methoxy]phenyl]methanamine
CID 22687493
[4-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]phenyl]methanamine
CID 63152339
4-[[1-aminoethyl-[4-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-1,3-thiazol-2-yl]amino]methyl]benzaldehyde
CID 142249306
4-(3,4-dichlorophenyl)-N-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine
CID 58791226
2-phenoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 108739624

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-2-phenyl-1,3-thiazole?
The IUPAC name of 4-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-2-phenyl-1,3-thiazole (CID 4031287) is 4-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-2-phenyl-1,3-thiazole.
What is the SMILES notation for 4-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-2-phenyl-1,3-thiazole?
The canonical SMILES for 4-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-2-phenyl-1,3-thiazole is Clc1ccc(COc2ccc(-c3csc(-c4ccccc4)n3)cc2)cc1Cl.
What is the InChIKey of 4-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-2-phenyl-1,3-thiazole?
The InChIKey is DBLKCDKVPWCKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2NOS/c23-19-11-6-15(12-20(19)24)13-26-18-9-7-16(8-10-18)21-14-27-22(25-21)17-4-2-1-3-5-17/h1-12,14H,13H2.
What are the key properties of 4-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-2-phenyl-1,3-thiazole?
4-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-2-phenyl-1,3-thiazole has a molecular weight of 412.34 g/mol, XLogP of 7.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-2-phenyl-1,3-thiazole is sourced from PubChem (CID 4031287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).