2-(4-bromophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide

C12H12BrN3OS — CID 971012

IUPAC2-(4-bromophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCc1nnc(NC(=O)Cc2ccc(Br)cc2)s1
InChIInChI=1S/C12H12BrN3OS/c1-2-11-15-16-12(18-11)14-10(17)7-8-3-5-9(13)6-4-8/h3-6H,2,7H2,1H3,(H,14,16,17)
InChIKeyZOIIMSIFJLAULI-UHFFFAOYSA-N
MW326.22 g/mol
LogP3.04
Rot. Bonds4

About 2-(4-bromophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide

2-(4-bromophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 971012) has the molecular formula C12H12BrN3OS and a molecular weight of 326.22 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID971012
Molecular FormulaC12H12BrN3OS
Molecular Weight326.22 g/mol
Exact Mass324.99
IUPAC Name2-(4-bromophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCc1nnc(NC(=O)Cc2ccc(Br)cc2)s1
InChIInChI=1S/C12H12BrN3OS/c1-2-11-15-16-12(18-11)14-10(17)7-8-3-5-9(13)6-4-8/h3-6H,2,7H2,1H3,(H,14,16,17)
InChIKeyZOIIMSIFJLAULI-UHFFFAOYSA-N
XLogP3.04
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.22
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide (CID 971012) is 2-(4-bromophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide is CCc1nnc(NC(=O)Cc2ccc(Br)cc2)s1.
What is the InChIKey of 2-(4-bromophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is ZOIIMSIFJLAULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3OS/c1-2-11-15-16-12(18-11)14-10(17)7-8-3-5-9(13)6-4-8/h3-6H,2,7H2,1H3,(H,14,16,17).
What are the key properties of 2-(4-bromophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(4-bromophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 326.22 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 971012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).