[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate

C15H13F2N3O5S — CID 8535538

IUPAC[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate
SMILESCCc1nnsc1C(=O)OCC(=O)NC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H13F2N3O5S/c1-2-10-12(26-20-19-10)14(23)24-7-11(21)18-13(22)8-3-5-9(6-4-8)25-15(16)17/h3-6,15H,2,7H2,1H3,(H,18,21,22)
InChIKeyCIPLWGKGICHRPL-UHFFFAOYSA-N
MW385.35 g/mol
LogP1.82
Rot. Bonds7

About [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate

[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate (PubChem CID 8535538) has the molecular formula C15H13F2N3O5S and a molecular weight of 385.35 g/mol. Its IUPAC name is [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate.

Molecular Properties

Compound Name[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate
PubChem CID8535538
Molecular FormulaC15H13F2N3O5S
Molecular Weight385.35 g/mol
Exact Mass385.05
IUPAC Name[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate
SMILESCCc1nnsc1C(=O)OCC(=O)NC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H13F2N3O5S/c1-2-10-12(26-20-19-10)14(23)24-7-11(21)18-13(22)8-3-5-9(6-4-8)25-15(16)17/h3-6,15H,2,7H2,1H3,(H,18,21,22)
InChIKeyCIPLWGKGICHRPL-UHFFFAOYSA-N
XLogP1.82
TPSA107.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.35
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[2-[4-(Difluoromethoxy)phenyl]-2-oxoethyl] 4-methylthiadiazole-5-carboxylate
CID 7576823
[2-[[4-(Difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 7954660
[2-[[4-(Difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate
CID 8668062
[2-[2-[4-(Difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate
CID 8668069
4-ethyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]thiadiazole-5-carboxamide
CID 30548592
N-[[4-(difluoromethoxy)phenyl]methyl]-4-ethylthiadiazole-5-carboxamide
CID 51206150
[2-[[4-(Difluoromethoxy)phenyl]methyl-methylamino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate
CID 55394375
2-[[3-(Trifluoromethyl)benzoyl]amino]ethyl 4-(4-methoxyphenyl)thiadiazole-5-carboxylate
CID 100319562
3-[(4-Methoxybenzoyl)amino]propyl 4-(4-fluorophenyl)thiadiazole-5-carboxylate
CID 100320311
3-[(4-Methylthiadiazole-5-carbonyl)amino]-3-[4-(trifluoromethoxy)phenyl]propanoic acid
CID 120491754
3-[(4-Ethylthiadiazole-5-carbonyl)amino]-3-[4-(trifluoromethoxy)phenyl]propanoic acid
CID 121852824
[2-(2-Methoxy-5-methylanilino)-2-oxoethyl] 4-methylthiadiazole-5-carboxylate
CID 7576867

Frequently Asked Questions

What is the IUPAC name of [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate?
The IUPAC name of [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate (CID 8535538) is [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate.
What is the SMILES notation for [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate?
The canonical SMILES for [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate is CCc1nnsc1C(=O)OCC(=O)NC(=O)c1ccc(OC(F)F)cc1.
What is the InChIKey of [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate?
The InChIKey is CIPLWGKGICHRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3O5S/c1-2-10-12(26-20-19-10)14(23)24-7-11(21)18-13(22)8-3-5-9(6-4-8)25-15(16)17/h3-6,15H,2,7H2,1H3,(H,18,21,22).
What are the key properties of [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate?
[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate has a molecular weight of 385.35 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate is sourced from PubChem (CID 8535538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).