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

C6H9BrN4OS — CID 115685004

IUPAC3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]butanamide
SMILESCC(CC(N)=O)Nc1nnc(Br)s1
InChIInChI=1S/C6H9BrN4OS/c1-3(2-4(8)12)9-6-11-10-5(7)13-6/h3H,2H2,1H3,(H2,8,12)(H,9,11)
InChIKeyIWIKDSVGPMHOFH-UHFFFAOYSA-N
MW265.14 g/mol
LogP0.98
Rot. Bonds4

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

3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]butanamide (PubChem CID 115685004) has the molecular formula C6H9BrN4OS and a molecular weight of 265.14 g/mol. Its IUPAC name is 3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]butanamide.

Molecular Properties

Compound Name3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]butanamide
PubChem CID115685004
Molecular FormulaC6H9BrN4OS
Molecular Weight265.14 g/mol
Exact Mass263.97
IUPAC Name3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]butanamide
SMILESCC(CC(N)=O)Nc1nnc(Br)s1
InChIInChI=1S/C6H9BrN4OS/c1-3(2-4(8)12)9-6-11-10-5(7)13-6/h3H,2H2,1H3,(H2,8,12)(H,9,11)
InChIKeyIWIKDSVGPMHOFH-UHFFFAOYSA-N
XLogP0.98
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.14
LogP ≤ 50.98
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]butanamide?
The IUPAC name of 3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]butanamide (CID 115685004) is 3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]butanamide.
What is the SMILES notation for 3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]butanamide?
The canonical SMILES for 3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]butanamide is CC(CC(N)=O)Nc1nnc(Br)s1.
What is the InChIKey of 3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]butanamide?
The InChIKey is IWIKDSVGPMHOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN4OS/c1-3(2-4(8)12)9-6-11-10-5(7)13-6/h3H,2H2,1H3,(H2,8,12)(H,9,11).
What are the key properties of 3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]butanamide?
3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]butanamide has a molecular weight of 265.14 g/mol, XLogP of 0.98, 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]butanamide is sourced from PubChem (CID 115685004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).