2-ethoxy-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide

C13H15N3O2S — CID 871221

IUPAC2-ethoxy-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCOc1ccccc1C(=O)Nc1nnc(CC)s1
InChIInChI=1S/C13H15N3O2S/c1-3-11-15-16-13(19-11)14-12(17)9-7-5-6-8-10(9)18-4-2/h5-8H,3-4H2,1-2H3,(H,14,16,17)
InChIKeyATNVHUOSPRSFEX-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.75
Rot. Bonds5

About 2-ethoxy-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide

2-ethoxy-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 871221) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-ethoxy-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-ethoxy-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID871221
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name2-ethoxy-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCOc1ccccc1C(=O)Nc1nnc(CC)s1
InChIInChI=1S/C13H15N3O2S/c1-3-11-15-16-13(19-11)14-12(17)9-7-5-6-8-10(9)18-4-2/h5-8H,3-4H2,1-2H3,(H,14,16,17)
InChIKeyATNVHUOSPRSFEX-UHFFFAOYSA-N
XLogP2.75
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 747323
N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide
CID 777611
2-methoxy-4-(methylthio)-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 1094114
4-methoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 794237
2-methoxy-N-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 897595
2,4-dimethoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1094111
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,5-dimethylfuran-3-carboxamide
CID 2555103
4-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 644396
N-(5-Isopropyl-[1,3,4]thiadiazol-2-yl)-3-methoxy-benzamide
CID 648237
ethyl [(5E)-5-{[(2-methoxyphenyl)carbonyl]imino}-4,5-dihydro-1,3,4-thiadiazol-2-yl]acetate
CID 665316
3-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 665956
N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide
CID 695203

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 2-ethoxy-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide (CID 871221) is 2-ethoxy-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 2-ethoxy-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 2-ethoxy-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide is CCOc1ccccc1C(=O)Nc1nnc(CC)s1.
What is the InChIKey of 2-ethoxy-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is ATNVHUOSPRSFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-3-11-15-16-13(19-11)14-12(17)9-7-5-6-8-10(9)18-4-2/h5-8H,3-4H2,1-2H3,(H,14,16,17).
What are the key properties of 2-ethoxy-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide?
2-ethoxy-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 277.35 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 871221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).