3-bromo-N-(thiadiazol-5-yl)propanamide

C5H6BrN3OS — CID 114912011

IUPAC3-bromo-N-(thiadiazol-5-yl)propanamide
SMILESO=C(CCBr)Nc1cnns1
InChIInChI=1S/C5H6BrN3OS/c6-2-1-4(10)8-5-3-7-9-11-5/h3H,1-2H2,(H,8,10)
InChIKeyZRGUGMARFFXVSG-UHFFFAOYSA-N
MW236.09 g/mol
LogP1.26
Rot. Bonds3

About 3-bromo-N-(thiadiazol-5-yl)propanamide

3-bromo-N-(thiadiazol-5-yl)propanamide (PubChem CID 114912011) has the molecular formula C5H6BrN3OS and a molecular weight of 236.09 g/mol. Its IUPAC name is 3-bromo-N-(thiadiazol-5-yl)propanamide.

Molecular Properties

Compound Name3-bromo-N-(thiadiazol-5-yl)propanamide
PubChem CID114912011
Molecular FormulaC5H6BrN3OS
Molecular Weight236.09 g/mol
Exact Mass234.94
IUPAC Name3-bromo-N-(thiadiazol-5-yl)propanamide
SMILESO=C(CCBr)Nc1cnns1
InChIInChI=1S/C5H6BrN3OS/c6-2-1-4(10)8-5-3-7-9-11-5/h3H,1-2H2,(H,8,10)
InChIKeyZRGUGMARFFXVSG-UHFFFAOYSA-N
XLogP1.26
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.09
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(thiadiazol-5-yl)propanamide?
The IUPAC name of 3-bromo-N-(thiadiazol-5-yl)propanamide (CID 114912011) is 3-bromo-N-(thiadiazol-5-yl)propanamide.
What is the SMILES notation for 3-bromo-N-(thiadiazol-5-yl)propanamide?
The canonical SMILES for 3-bromo-N-(thiadiazol-5-yl)propanamide is O=C(CCBr)Nc1cnns1.
What is the InChIKey of 3-bromo-N-(thiadiazol-5-yl)propanamide?
The InChIKey is ZRGUGMARFFXVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrN3OS/c6-2-1-4(10)8-5-3-7-9-11-5/h3H,1-2H2,(H,8,10).
What are the key properties of 3-bromo-N-(thiadiazol-5-yl)propanamide?
3-bromo-N-(thiadiazol-5-yl)propanamide has a molecular weight of 236.09 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(thiadiazol-5-yl)propanamide is sourced from PubChem (CID 114912011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).