N-[2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]ethyl]acetamide

C6H9BrN4OS — CID 64623259

IUPACN-[2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCNc1nnc(Br)s1
InChIInChI=1S/C6H9BrN4OS/c1-4(12)8-2-3-9-6-11-10-5(7)13-6/h2-3H2,1H3,(H,8,12)(H,9,11)
InChIKeyVALXWKCFXWDGQE-UHFFFAOYSA-N
MW265.14 g/mol
LogP0.85
Rot. Bonds4

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

N-[2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]ethyl]acetamide (PubChem CID 64623259) has the molecular formula C6H9BrN4OS and a molecular weight of 265.14 g/mol. Its IUPAC name is N-[2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]ethyl]acetamide
PubChem CID64623259
Molecular FormulaC6H9BrN4OS
Molecular Weight265.14 g/mol
Exact Mass263.97
IUPAC NameN-[2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCNc1nnc(Br)s1
InChIInChI=1S/C6H9BrN4OS/c1-4(12)8-2-3-9-6-11-10-5(7)13-6/h2-3H2,1H3,(H,8,12)(H,9,11)
InChIKeyVALXWKCFXWDGQE-UHFFFAOYSA-N
XLogP0.85
TPSA66.91 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 ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]ethyl]acetamide?
The IUPAC name of N-[2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]ethyl]acetamide (CID 64623259) is N-[2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]ethyl]acetamide?
The canonical SMILES for N-[2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]ethyl]acetamide is CC(=O)NCCNc1nnc(Br)s1.
What is the InChIKey of N-[2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]ethyl]acetamide?
The InChIKey is VALXWKCFXWDGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN4OS/c1-4(12)8-2-3-9-6-11-10-5(7)13-6/h2-3H2,1H3,(H,8,12)(H,9,11).
What are the key properties of N-[2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]ethyl]acetamide?
N-[2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]ethyl]acetamide has a molecular weight of 265.14 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]ethyl]acetamide is sourced from PubChem (CID 64623259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).