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

C11H10BrN3OS — CID 745394

IUPAC4-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCc1nnc(NC(=O)c2ccc(Br)cc2)s1
InChIInChI=1S/C11H10BrN3OS/c1-2-9-14-15-11(17-9)13-10(16)7-3-5-8(12)6-4-7/h3-6H,2H2,1H3,(H,13,15,16)
InChIKeyZSGOTBTWJVGQBC-UHFFFAOYSA-N
MW312.19 g/mol
LogP3.12
Rot. Bonds3

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

4-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 745394) has the molecular formula C11H10BrN3OS and a molecular weight of 312.19 g/mol. Its IUPAC name is 4-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID745394
Molecular FormulaC11H10BrN3OS
Molecular Weight312.19 g/mol
Exact Mass310.97
IUPAC Name4-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCc1nnc(NC(=O)c2ccc(Br)cc2)s1
InChIInChI=1S/C11H10BrN3OS/c1-2-9-14-15-11(17-9)13-10(16)7-3-5-8(12)6-4-7/h3-6H,2H2,1H3,(H,13,15,16)
InChIKeyZSGOTBTWJVGQBC-UHFFFAOYSA-N
XLogP3.12
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.19
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 4-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide (CID 745394) is 4-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 4-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 4-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide is CCc1nnc(NC(=O)c2ccc(Br)cc2)s1.
What is the InChIKey of 4-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is ZSGOTBTWJVGQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3OS/c1-2-9-14-15-11(17-9)13-10(16)7-3-5-8(12)6-4-7/h3-6H,2H2,1H3,(H,13,15,16).
What are the key properties of 4-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide?
4-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 312.19 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 745394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).