4-[(2,5-dichlorophenoxy)methyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole

C18H15Cl2NO3S — CID 7431881

IUPAC4-[(2,5-dichlorophenoxy)methyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole
SMILESCOc1cccc(-c2nc(COc3cc(Cl)ccc3Cl)cs2)c1OC
InChIInChI=1S/C18H15Cl2NO3S/c1-22-15-5-3-4-13(17(15)23-2)18-21-12(10-25-18)9-24-16-8-11(19)6-7-14(16)20/h3-8,10H,9H2,1-2H3
InChIKeyAQSJNTOPSNXXKX-UHFFFAOYSA-N
MW396.30 g/mol
LogP5.71
Rot. Bonds6

About 4-[(2,5-dichlorophenoxy)methyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole

4-[(2,5-dichlorophenoxy)methyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole (PubChem CID 7431881) has the molecular formula C18H15Cl2NO3S and a molecular weight of 396.30 g/mol. Its IUPAC name is 4-[(2,5-dichlorophenoxy)methyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-[(2,5-dichlorophenoxy)methyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole
PubChem CID7431881
Molecular FormulaC18H15Cl2NO3S
Molecular Weight396.30 g/mol
Exact Mass395.01
IUPAC Name4-[(2,5-dichlorophenoxy)methyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole
SMILESCOc1cccc(-c2nc(COc3cc(Cl)ccc3Cl)cs2)c1OC
InChIInChI=1S/C18H15Cl2NO3S/c1-22-15-5-3-4-13(17(15)23-2)18-21-12(10-25-18)9-24-16-8-11(19)6-7-14(16)20/h3-8,10H,9H2,1-2H3
InChIKeyAQSJNTOPSNXXKX-UHFFFAOYSA-N
XLogP5.71
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.30
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-chloro-4-fluorophenoxy)methyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole
CID 26763485
4-[(4-bromo-2-fluorophenoxy)methyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole
CID 27352237
2-(2,3-dimethoxyphenyl)-4-[(2-fluoro-4-nitrophenoxy)methyl]-1,3-thiazole
CID 52618910
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-chlorobenzoate
CID 7775955
2-(2,3-dimethoxyphenyl)-4-propyl-1,3-thiazole
CID 145341916
[(1S)-1-(2-chlorophenyl)ethyl]-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]azanium
CID 8598527
2-(2,3-dimethoxyphenyl)-4-[[4-nitro-2-(trifluoromethyl)phenoxy]methyl]-1,3-thiazole
CID 60586449
2-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methoxy]-5-phenyl-1,3,4-oxadiazole
CID 55602692
N-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 60672836
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl (E)-2-(4-chlorophenyl)-3-phenylprop-2-enoate
CID 16509905
4-O-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 41089254
N-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-methylpropan-1-amine
CID 82515969

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dichlorophenoxy)methyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole?
The IUPAC name of 4-[(2,5-dichlorophenoxy)methyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole (CID 7431881) is 4-[(2,5-dichlorophenoxy)methyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole.
What is the SMILES notation for 4-[(2,5-dichlorophenoxy)methyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole?
The canonical SMILES for 4-[(2,5-dichlorophenoxy)methyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole is COc1cccc(-c2nc(COc3cc(Cl)ccc3Cl)cs2)c1OC.
What is the InChIKey of 4-[(2,5-dichlorophenoxy)methyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole?
The InChIKey is AQSJNTOPSNXXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2NO3S/c1-22-15-5-3-4-13(17(15)23-2)18-21-12(10-25-18)9-24-16-8-11(19)6-7-14(16)20/h3-8,10H,9H2,1-2H3.
What are the key properties of 4-[(2,5-dichlorophenoxy)methyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole?
4-[(2,5-dichlorophenoxy)methyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole has a molecular weight of 396.30 g/mol, XLogP of 5.71, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dichlorophenoxy)methyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole is sourced from PubChem (CID 7431881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).