[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate

C15H13F2N3O5S — CID 46605610

IUPAC[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate
SMILESCC(=O)Nc1nc(C(=O)OCC(=O)Nc2ccccc2OC(F)F)cs1
InChIInChI=1S/C15H13F2N3O5S/c1-8(21)18-15-20-10(7-26-15)13(23)24-6-12(22)19-9-4-2-3-5-11(9)25-14(16)17/h2-5,7,14H,6H2,1H3,(H,19,22)(H,18,20,21)
InChIKeyGRVOBNFBXCXLBU-UHFFFAOYSA-N
MW385.35 g/mol
LogP2.50
Rot. Bonds7

About [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate

[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate (PubChem CID 46605610) has the molecular formula C15H13F2N3O5S and a molecular weight of 385.35 g/mol. Its IUPAC name is [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate
PubChem CID46605610
Molecular FormulaC15H13F2N3O5S
Molecular Weight385.35 g/mol
Exact Mass385.05
IUPAC Name[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate
SMILESCC(=O)Nc1nc(C(=O)OCC(=O)Nc2ccccc2OC(F)F)cs1
InChIInChI=1S/C15H13F2N3O5S/c1-8(21)18-15-20-10(7-26-15)13(23)24-6-12(22)19-9-4-2-3-5-11(9)25-14(16)17/h2-5,7,14H,6H2,1H3,(H,19,22)(H,18,20,21)
InChIKeyGRVOBNFBXCXLBU-UHFFFAOYSA-N
XLogP2.50
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.35
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate
CID 46604962
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] quinoline-2-carboxylate
CID 4010843
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-oxopentanoate
CID 8613385
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate
CID 46605035
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 7833478
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3,3-dimethylbutanoate
CID 7950713
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-iodobenzoate
CID 2397956
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate
CID 46605172
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate
CID 2116950
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 7758358
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] (2S)-2-phenylsulfanylpropanoate
CID 7806358
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] (2S)-2-(4-tert-butylphenoxy)propanoate
CID 8984705

Frequently Asked Questions

What is the IUPAC name of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate?
The IUPAC name of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate (CID 46605610) is [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate.
What is the SMILES notation for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate?
The canonical SMILES for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate is CC(=O)Nc1nc(C(=O)OCC(=O)Nc2ccccc2OC(F)F)cs1.
What is the InChIKey of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate?
The InChIKey is GRVOBNFBXCXLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3O5S/c1-8(21)18-15-20-10(7-26-15)13(23)24-6-12(22)19-9-4-2-3-5-11(9)25-14(16)17/h2-5,7,14H,6H2,1H3,(H,19,22)(H,18,20,21).
What are the key properties of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate?
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate has a molecular weight of 385.35 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 46605610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).