2-bromo-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]benzamide

C11H8BrN3O2S2 — CID 2449111

IUPAC2-bromo-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]benzamide
SMILESO=C(CSc1nncs1)NC(=O)c1ccccc1Br
InChIInChI=1S/C11H8BrN3O2S2/c12-8-4-2-1-3-7(8)10(17)14-9(16)5-18-11-15-13-6-19-11/h1-4,6H,5H2,(H,14,16,17)
InChIKeyQZNZWJKTWLNGNB-UHFFFAOYSA-N
MW358.24 g/mol
LogP2.35
Rot. Bonds4

About 2-bromo-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]benzamide

2-bromo-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]benzamide (PubChem CID 2449111) has the molecular formula C11H8BrN3O2S2 and a molecular weight of 358.24 g/mol. Its IUPAC name is 2-bromo-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]benzamide
PubChem CID2449111
Molecular FormulaC11H8BrN3O2S2
Molecular Weight358.24 g/mol
Exact Mass356.92
IUPAC Name2-bromo-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]benzamide
SMILESO=C(CSc1nncs1)NC(=O)c1ccccc1Br
InChIInChI=1S/C11H8BrN3O2S2/c12-8-4-2-1-3-7(8)10(17)14-9(16)5-18-11-15-13-6-19-11/h1-4,6H,5H2,(H,14,16,17)
InChIKeyQZNZWJKTWLNGNB-UHFFFAOYSA-N
XLogP2.35
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.24
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzamide
CID 7898067
2-bromo-N'-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]benzohydrazide
CID 2121976
4-bromo-N'-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]benzohydrazide
CID 2532085
N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]benzamide
CID 7499620
4-tert-butyl-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]benzamide
CID 7499687
N-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzamide
CID 7692310
N-[2-[[5-(2-methylprop-2-enylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzamide
CID 8333899
N-[2-[[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzamide
CID 8335020
N-(5-((2-amino-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-2-bromobenzamide
CID 8483759
N-[2-[(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzamide
CID 8493144
N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-bromobenzamide
CID 43212689
N-[2-(2-aminoethylsulfanyl)acetyl]-2-bromobenzamide
CID 43249419

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]benzamide?
The IUPAC name of 2-bromo-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]benzamide (CID 2449111) is 2-bromo-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]benzamide.
What is the SMILES notation for 2-bromo-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]benzamide?
The canonical SMILES for 2-bromo-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]benzamide is O=C(CSc1nncs1)NC(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]benzamide?
The InChIKey is QZNZWJKTWLNGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN3O2S2/c12-8-4-2-1-3-7(8)10(17)14-9(16)5-18-11-15-13-6-19-11/h1-4,6H,5H2,(H,14,16,17).
What are the key properties of 2-bromo-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]benzamide?
2-bromo-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]benzamide has a molecular weight of 358.24 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]benzamide is sourced from PubChem (CID 2449111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).