[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 3-indol-1-ylpropanoate

C23H20FN3O3S — CID 43040396

IUPAC[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 3-indol-1-ylpropanoate
SMILESCC(=O)N(c1nc(COC(=O)CCn2ccc3ccccc32)cs1)c1ccccc1F
InChIInChI=1S/C23H20FN3O3S/c1-16(28)27(21-9-5-3-7-19(21)24)23-25-18(15-31-23)14-30-22(29)11-13-26-12-10-17-6-2-4-8-20(17)26/h2-10,12,15H,11,13-14H2,1H3
InChIKeyZONJYEDMKAIQBU-UHFFFAOYSA-N
MW437.50 g/mol
LogP5.05
Rot. Bonds7

About [2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 3-indol-1-ylpropanoate

[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 3-indol-1-ylpropanoate (PubChem CID 43040396) has the molecular formula C23H20FN3O3S and a molecular weight of 437.50 g/mol. Its IUPAC name is [2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 3-indol-1-ylpropanoate.

Molecular Properties

Compound Name[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 3-indol-1-ylpropanoate
PubChem CID43040396
Molecular FormulaC23H20FN3O3S
Molecular Weight437.50 g/mol
Exact Mass437.12
IUPAC Name[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 3-indol-1-ylpropanoate
SMILESCC(=O)N(c1nc(COC(=O)CCn2ccc3ccccc32)cs1)c1ccccc1F
InChIInChI=1S/C23H20FN3O3S/c1-16(28)27(21-9-5-3-7-19(21)24)23-25-18(15-31-23)14-30-22(29)11-13-26-12-10-17-6-2-4-8-20(17)26/h2-10,12,15H,11,13-14H2,1H3
InChIKeyZONJYEDMKAIQBU-UHFFFAOYSA-N
XLogP5.05
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.50
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 1-benzylindole-3-carboxylate
CID 55442289
[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate
CID 55321837
[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 41061006
[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 16563979
[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 1H-indazole-3-carboxylate
CID 7956387
[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 2-nitrobenzoate
CID 25470926
N-[4-[(2-acetyl-4-fluorophenoxy)methyl]-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide
CID 112819000
[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl (E)-3-(furan-2-yl)prop-2-enoate
CID 7852073
[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoate
CID 27703996
[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 55324725
[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetate
CID 27191675
[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 2-(4-chloro-2-methylphenoxy)propanoate
CID 42985080

Frequently Asked Questions

What is the IUPAC name of [2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 3-indol-1-ylpropanoate?
The IUPAC name of [2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 3-indol-1-ylpropanoate (CID 43040396) is [2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 3-indol-1-ylpropanoate.
What is the SMILES notation for [2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 3-indol-1-ylpropanoate?
The canonical SMILES for [2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 3-indol-1-ylpropanoate is CC(=O)N(c1nc(COC(=O)CCn2ccc3ccccc32)cs1)c1ccccc1F.
What is the InChIKey of [2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 3-indol-1-ylpropanoate?
The InChIKey is ZONJYEDMKAIQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O3S/c1-16(28)27(21-9-5-3-7-19(21)24)23-25-18(15-31-23)14-30-22(29)11-13-26-12-10-17-6-2-4-8-20(17)26/h2-10,12,15H,11,13-14H2,1H3.
What are the key properties of [2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 3-indol-1-ylpropanoate?
[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 3-indol-1-ylpropanoate has a molecular weight of 437.50 g/mol, XLogP of 5.05, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 3-indol-1-ylpropanoate is sourced from PubChem (CID 43040396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).