4-[(2-chloro-4-fluorophenoxy)methyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole

C18H15ClFNO3S — CID 26763485

IUPAC4-[(2-chloro-4-fluorophenoxy)methyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole
SMILESCOc1cccc(-c2nc(COc3ccc(F)cc3Cl)cs2)c1OC
InChIInChI=1S/C18H15ClFNO3S/c1-22-16-5-3-4-13(17(16)23-2)18-21-12(10-25-18)9-24-15-7-6-11(20)8-14(15)19/h3-8,10H,9H2,1-2H3
InChIKeyNUMOQJLUVYTICM-UHFFFAOYSA-N
MW379.84 g/mol
LogP5.20
Rot. Bonds6

About 4-[(2-chloro-4-fluorophenoxy)methyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole

4-[(2-chloro-4-fluorophenoxy)methyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole (PubChem CID 26763485) has the molecular formula C18H15ClFNO3S and a molecular weight of 379.84 g/mol. Its IUPAC name is 4-[(2-chloro-4-fluorophenoxy)methyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-[(2-chloro-4-fluorophenoxy)methyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole
PubChem CID26763485
Molecular FormulaC18H15ClFNO3S
Molecular Weight379.84 g/mol
Exact Mass379.04
IUPAC Name4-[(2-chloro-4-fluorophenoxy)methyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole
SMILESCOc1cccc(-c2nc(COc3ccc(F)cc3Cl)cs2)c1OC
InChIInChI=1S/C18H15ClFNO3S/c1-22-16-5-3-4-13(17(16)23-2)18-21-12(10-25-18)9-24-15-7-6-11(20)8-14(15)19/h3-8,10H,9H2,1-2H3
InChIKeyNUMOQJLUVYTICM-UHFFFAOYSA-N
XLogP5.20
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.84
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2,5-dichlorophenoxy)methyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole
CID 7431881
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)-4-[[4-nitro-2-(trifluoromethyl)phenoxy]methyl]-1,3-thiazole
CID 60586449
[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
2-(2-chloro-4-fluorophenyl)-4-(methoxymethyl)-1,3-thiazole
CID 107511921
[(1S)-1-(2-chlorophenyl)ethyl]-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]azanium
CID 8598527
N-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-methylpropan-1-amine
CID 82515969
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 5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxylate
CID 41388768

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-4-fluorophenoxy)methyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole?
The IUPAC name of 4-[(2-chloro-4-fluorophenoxy)methyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole (CID 26763485) is 4-[(2-chloro-4-fluorophenoxy)methyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole.
What is the SMILES notation for 4-[(2-chloro-4-fluorophenoxy)methyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole?
The canonical SMILES for 4-[(2-chloro-4-fluorophenoxy)methyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole is COc1cccc(-c2nc(COc3ccc(F)cc3Cl)cs2)c1OC.
What is the InChIKey of 4-[(2-chloro-4-fluorophenoxy)methyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole?
The InChIKey is NUMOQJLUVYTICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFNO3S/c1-22-16-5-3-4-13(17(16)23-2)18-21-12(10-25-18)9-24-15-7-6-11(20)8-14(15)19/h3-8,10H,9H2,1-2H3.
What are the key properties of 4-[(2-chloro-4-fluorophenoxy)methyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole?
4-[(2-chloro-4-fluorophenoxy)methyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole has a molecular weight of 379.84 g/mol, XLogP of 5.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-4-fluorophenoxy)methyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole is sourced from PubChem (CID 26763485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).