methyl 2-[5-(4-fluoroanilino)-6-(2-fluoro-6-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate

C21H17F2N3O3S — CID 59578873

IUPACmethyl 2-[5-(4-fluoroanilino)-6-(2-fluoro-6-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate
SMILESCOC(=O)Cc1csc2nc(-c3c(F)cccc3OC)c(Nc3ccc(F)cc3)n12
InChIInChI=1S/C21H17F2N3O3S/c1-28-16-5-3-4-15(23)18(16)19-20(24-13-8-6-12(22)7-9-13)26-14(10-17(27)29-2)11-30-21(26)25-19/h3-9,11,24H,10H2,1-2H3
InChIKeyLSQONRRPNVXNDP-UHFFFAOYSA-N
MW429.45 g/mol
LogP4.81
Rot. Bonds6

About methyl 2-[5-(4-fluoroanilino)-6-(2-fluoro-6-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate

methyl 2-[5-(4-fluoroanilino)-6-(2-fluoro-6-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate (PubChem CID 59578873) has the molecular formula C21H17F2N3O3S and a molecular weight of 429.45 g/mol. Its IUPAC name is methyl 2-[5-(4-fluoroanilino)-6-(2-fluoro-6-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-(4-fluoroanilino)-6-(2-fluoro-6-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate
PubChem CID59578873
Molecular FormulaC21H17F2N3O3S
Molecular Weight429.45 g/mol
Exact Mass429.10
IUPAC Namemethyl 2-[5-(4-fluoroanilino)-6-(2-fluoro-6-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate
SMILESCOC(=O)Cc1csc2nc(-c3c(F)cccc3OC)c(Nc3ccc(F)cc3)n12
InChIInChI=1S/C21H17F2N3O3S/c1-28-16-5-3-4-15(23)18(16)19-20(24-13-8-6-12(22)7-9-13)26-14(10-17(27)29-2)11-30-21(26)25-19/h3-9,11,24H,10H2,1-2H3
InChIKeyLSQONRRPNVXNDP-UHFFFAOYSA-N
XLogP4.81
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.45
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[5-(4-fluoroanilino)-6-(2-fluoro-6-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate with MolForge

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Related Compounds

methyl 2-[6-(2-chloro-4-fluorophenyl)-5-(4-fluoroanilino)imidazo[2,1-b][1,3]thiazol-3-yl]acetate
CID 59579107
methyl 2-[6-(2,6-difluoro-4-methoxyphenyl)-5-(2,6-dimethylanilino)imidazo[2,1-b][1,3]thiazol-3-yl]acetate
CID 59579224
6-(2,6-difluorophenyl)-N-(4-fluorophenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine
CID 59579215
methyl 2-[5-(cyclopentylamino)-6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate
CID 59578831
N-cyclohexyl-6-(2-fluoro-6-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine
CID 59579083
3-cyclohexa-1,3-dien-1-yl-6-(2,6-difluorophenyl)-N-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-amine
CID 71016477
N-(2,6-dimethylphenyl)-2-(2-fluoro-6-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-1-amine
CID 59579025
6-(2,4-difluorophenyl)-N-(2,6-dimethylphenyl)-3-ethylimidazo[2,1-b][1,3]thiazol-5-amine
CID 70832396
6-(2,6-difluorophenyl)-N-(2,6-dimethylphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine
CID 59579087
methyl 2-[2-(2-chloro-6-methoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 113456409
methyl 2-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]acetate
CID 112724634
3-cyclohexa-1,3-dien-1-yl-N-cyclopentyl-6-(2-fluoro-6-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-amine
CID 71016404

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(4-fluoroanilino)-6-(2-fluoro-6-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate?
The IUPAC name of methyl 2-[5-(4-fluoroanilino)-6-(2-fluoro-6-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate (CID 59578873) is methyl 2-[5-(4-fluoroanilino)-6-(2-fluoro-6-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate.
What is the SMILES notation for methyl 2-[5-(4-fluoroanilino)-6-(2-fluoro-6-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate?
The canonical SMILES for methyl 2-[5-(4-fluoroanilino)-6-(2-fluoro-6-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate is COC(=O)Cc1csc2nc(-c3c(F)cccc3OC)c(Nc3ccc(F)cc3)n12.
What is the InChIKey of methyl 2-[5-(4-fluoroanilino)-6-(2-fluoro-6-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate?
The InChIKey is LSQONRRPNVXNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N3O3S/c1-28-16-5-3-4-15(23)18(16)19-20(24-13-8-6-12(22)7-9-13)26-14(10-17(27)29-2)11-30-21(26)25-19/h3-9,11,24H,10H2,1-2H3.
What are the key properties of methyl 2-[5-(4-fluoroanilino)-6-(2-fluoro-6-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate?
methyl 2-[5-(4-fluoroanilino)-6-(2-fluoro-6-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate has a molecular weight of 429.45 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(4-fluoroanilino)-6-(2-fluoro-6-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate is sourced from PubChem (CID 59578873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).