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

C13H14BrN3O2S — CID 1349706

IUPAC3-bromo-4-ethoxy-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCOc1ccc(C(=O)Nc2nnc(CC)s2)cc1Br
InChIInChI=1S/C13H14BrN3O2S/c1-3-11-16-17-13(20-11)15-12(18)8-5-6-10(19-4-2)9(14)7-8/h5-7H,3-4H2,1-2H3,(H,15,17,18)
InChIKeyHOTZNTCXXFZWDY-UHFFFAOYSA-N
MW356.25 g/mol
LogP3.51
Rot. Bonds5

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

3-bromo-4-ethoxy-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 1349706) has the molecular formula C13H14BrN3O2S and a molecular weight of 356.25 g/mol. Its IUPAC name is 3-bromo-4-ethoxy-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-bromo-4-ethoxy-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID1349706
Molecular FormulaC13H14BrN3O2S
Molecular Weight356.25 g/mol
Exact Mass355.00
IUPAC Name3-bromo-4-ethoxy-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCOc1ccc(C(=O)Nc2nnc(CC)s2)cc1Br
InChIInChI=1S/C13H14BrN3O2S/c1-3-11-16-17-13(20-11)15-12(18)8-5-6-10(19-4-2)9(14)7-8/h5-7H,3-4H2,1-2H3,(H,15,17,18)
InChIKeyHOTZNTCXXFZWDY-UHFFFAOYSA-N
XLogP3.51
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 794237
4-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 644396
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide
CID 745396
N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide
CID 2201249
4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 754071
4-[(5-Methyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl acetate
CID 787304
3,4-diethoxy-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)benzamide
CID 847027
2-ethoxy-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 871221
3,4-diethoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 884599
4-butoxy-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 4559101
N-(5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl)-4-isopropoxybenzamide
CID 7096047
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide
CID 692339

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-ethoxy-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 3-bromo-4-ethoxy-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide (CID 1349706) is 3-bromo-4-ethoxy-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 3-bromo-4-ethoxy-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 3-bromo-4-ethoxy-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide is CCOc1ccc(C(=O)Nc2nnc(CC)s2)cc1Br.
What is the InChIKey of 3-bromo-4-ethoxy-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is HOTZNTCXXFZWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2S/c1-3-11-16-17-13(20-11)15-12(18)8-5-6-10(19-4-2)9(14)7-8/h5-7H,3-4H2,1-2H3,(H,15,17,18).
What are the key properties of 3-bromo-4-ethoxy-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide?
3-bromo-4-ethoxy-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 356.25 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-ethoxy-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 1349706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).