[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate

C17H12F2N2O3S2 — CID 46826649

IUPAC[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
SMILESO=C(COC(=O)Cc1csc(-c2cccs2)n1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C17H12F2N2O3S2/c18-12-4-3-10(6-13(12)19)20-15(22)8-24-16(23)7-11-9-26-17(21-11)14-2-1-5-25-14/h1-6,9H,7-8H2,(H,20,22)
InChIKeyVNGACDAZRCSPMS-UHFFFAOYSA-N
MW394.42 g/mol
LogP3.87
Rot. Bonds6

About [2-(3,4-difluoroanilino)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate

[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate (PubChem CID 46826649) has the molecular formula C17H12F2N2O3S2 and a molecular weight of 394.42 g/mol. Its IUPAC name is [2-(3,4-difluoroanilino)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate.

Molecular Properties

Compound Name[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
PubChem CID46826649
Molecular FormulaC17H12F2N2O3S2
Molecular Weight394.42 g/mol
Exact Mass394.03
IUPAC Name[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
SMILESO=C(COC(=O)Cc1csc(-c2cccs2)n1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C17H12F2N2O3S2/c18-12-4-3-10(6-13(12)19)20-15(22)8-24-16(23)7-11-9-26-17(21-11)14-2-1-5-25-14/h1-6,9H,7-8H2,(H,20,22)
InChIKeyVNGACDAZRCSPMS-UHFFFAOYSA-N
XLogP3.87
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(3,4-difluoroanilino)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate with MolForge

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Related Compounds

[2-(3,4-difluoroanilino)-2-oxoethyl] 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 42438100
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 8505093
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 8505147
[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 46818167
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 27774898
[2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 27774937
N-(5-chloro-2-fluorophenyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 17450324
[2-(4-fluoroanilino)-2-oxoethyl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 9129152
[2-(benzylcarbamoylamino)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 27775127
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 8505297
[2-(3,4-difluoroanilino)-2-oxoethyl] thiophene-2-carboxylate
CID 3687826
[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 7808095

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-difluoroanilino)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate?
The IUPAC name of [2-(3,4-difluoroanilino)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate (CID 46826649) is [2-(3,4-difluoroanilino)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate.
What is the SMILES notation for [2-(3,4-difluoroanilino)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate?
The canonical SMILES for [2-(3,4-difluoroanilino)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate is O=C(COC(=O)Cc1csc(-c2cccs2)n1)Nc1ccc(F)c(F)c1.
What is the InChIKey of [2-(3,4-difluoroanilino)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate?
The InChIKey is VNGACDAZRCSPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2O3S2/c18-12-4-3-10(6-13(12)19)20-15(22)8-24-16(23)7-11-9-26-17(21-11)14-2-1-5-25-14/h1-6,9H,7-8H2,(H,20,22).
What are the key properties of [2-(3,4-difluoroanilino)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate?
[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate has a molecular weight of 394.42 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-difluoroanilino)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate is sourced from PubChem (CID 46826649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).