[2-(2-bromo-4,6-difluoroanilino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate

C13H10BrF2N3O3S — CID 55481469

IUPAC[2-(2-bromo-4,6-difluoroanilino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate
SMILESCCc1nnsc1C(=O)OCC(=O)Nc1c(F)cc(F)cc1Br
InChIInChI=1S/C13H10BrF2N3O3S/c1-2-9-12(23-19-18-9)13(21)22-5-10(20)17-11-7(14)3-6(15)4-8(11)16/h3-4H,2,5H2,1H3,(H,17,20)
InChIKeyUVXSFXKKKDXFHI-UHFFFAOYSA-N
MW406.21 g/mol
LogP2.94
Rot. Bonds5

About [2-(2-bromo-4,6-difluoroanilino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate

[2-(2-bromo-4,6-difluoroanilino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate (PubChem CID 55481469) has the molecular formula C13H10BrF2N3O3S and a molecular weight of 406.21 g/mol. Its IUPAC name is [2-(2-bromo-4,6-difluoroanilino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate.

Molecular Properties

Compound Name[2-(2-bromo-4,6-difluoroanilino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate
PubChem CID55481469
Molecular FormulaC13H10BrF2N3O3S
Molecular Weight406.21 g/mol
Exact Mass404.96
IUPAC Name[2-(2-bromo-4,6-difluoroanilino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate
SMILESCCc1nnsc1C(=O)OCC(=O)Nc1c(F)cc(F)cc1Br
InChIInChI=1S/C13H10BrF2N3O3S/c1-2-9-12(23-19-18-9)13(21)22-5-10(20)17-11-7(14)3-6(15)4-8(11)16/h3-4H,2,5H2,1H3,(H,17,20)
InChIKeyUVXSFXKKKDXFHI-UHFFFAOYSA-N
XLogP2.94
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.21
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(2-bromo-4,6-difluoroanilino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate
CID 8534701
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate
CID 8535910
[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate
CID 8534727
[2-(2-bromo-4,6-difluoroanilino)-2-oxoethyl] 3-amino-6-chloropyridine-2-carboxylate
CID 71845694
[2-(3,4-diethoxyanilino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate
CID 8535714
[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate
CID 8534866
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate
CID 8535641
[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate
CID 8535804
2-amino-N-(2-bromo-4,6-difluorophenyl)-2-ethylbutanamide
CID 79809416
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate
CID 8535330
[2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate
CID 55394303
N-(2-bromo-6-chloro-4-fluorophenyl)-4-propylthiadiazole-5-carboxamide
CID 107612541

Frequently Asked Questions

What is the IUPAC name of [2-(2-bromo-4,6-difluoroanilino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate?
The IUPAC name of [2-(2-bromo-4,6-difluoroanilino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate (CID 55481469) is [2-(2-bromo-4,6-difluoroanilino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate.
What is the SMILES notation for [2-(2-bromo-4,6-difluoroanilino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate?
The canonical SMILES for [2-(2-bromo-4,6-difluoroanilino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate is CCc1nnsc1C(=O)OCC(=O)Nc1c(F)cc(F)cc1Br.
What is the InChIKey of [2-(2-bromo-4,6-difluoroanilino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate?
The InChIKey is UVXSFXKKKDXFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF2N3O3S/c1-2-9-12(23-19-18-9)13(21)22-5-10(20)17-11-7(14)3-6(15)4-8(11)16/h3-4H,2,5H2,1H3,(H,17,20).
What are the key properties of [2-(2-bromo-4,6-difluoroanilino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate?
[2-(2-bromo-4,6-difluoroanilino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate has a molecular weight of 406.21 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bromo-4,6-difluoroanilino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate is sourced from PubChem (CID 55481469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).