3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]propanamide

C5H7BrN4OS — CID 64623260

IUPAC3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]propanamide
SMILESNC(=O)CCNc1nnc(Br)s1
InChIInChI=1S/C5H7BrN4OS/c6-4-9-10-5(12-4)8-2-1-3(7)11/h1-2H2,(H2,7,11)(H,8,10)
InChIKeyCVFOWOFGIUNXDB-UHFFFAOYSA-N
MW251.11 g/mol
LogP0.59
Rot. Bonds4

About 3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]propanamide

3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]propanamide (PubChem CID 64623260) has the molecular formula C5H7BrN4OS and a molecular weight of 251.11 g/mol. Its IUPAC name is 3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]propanamide.

Molecular Properties

Compound Name3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]propanamide
PubChem CID64623260
Molecular FormulaC5H7BrN4OS
Molecular Weight251.11 g/mol
Exact Mass249.95
IUPAC Name3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]propanamide
SMILESNC(=O)CCNc1nnc(Br)s1
InChIInChI=1S/C5H7BrN4OS/c6-4-9-10-5(12-4)8-2-1-3(7)11/h1-2H2,(H2,7,11)(H,8,10)
InChIKeyCVFOWOFGIUNXDB-UHFFFAOYSA-N
XLogP0.59
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.11
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]propanamide?
The IUPAC name of 3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]propanamide (CID 64623260) is 3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]propanamide.
What is the SMILES notation for 3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]propanamide?
The canonical SMILES for 3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]propanamide is NC(=O)CCNc1nnc(Br)s1.
What is the InChIKey of 3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]propanamide?
The InChIKey is CVFOWOFGIUNXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrN4OS/c6-4-9-10-5(12-4)8-2-1-3(7)11/h1-2H2,(H2,7,11)(H,8,10).
What are the key properties of 3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]propanamide?
3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]propanamide has a molecular weight of 251.11 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]propanamide is sourced from PubChem (CID 64623260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).