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

C6H9BrN4OS — CID 64622228

IUPAC3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N-methylpropanamide
SMILESCNC(=O)CCNc1nnc(Br)s1
InChIInChI=1S/C6H9BrN4OS/c1-8-4(12)2-3-9-6-11-10-5(7)13-6/h2-3H2,1H3,(H,8,12)(H,9,11)
InChIKeyDLGUECAHLJJNLW-UHFFFAOYSA-N
MW265.14 g/mol
LogP0.85
Rot. Bonds4

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

3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N-methylpropanamide (PubChem CID 64622228) 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]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N-methylpropanamide
PubChem CID64622228
Molecular FormulaC6H9BrN4OS
Molecular Weight265.14 g/mol
Exact Mass263.97
IUPAC Name3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N-methylpropanamide
SMILESCNC(=O)CCNc1nnc(Br)s1
InChIInChI=1S/C6H9BrN4OS/c1-8-4(12)2-3-9-6-11-10-5(7)13-6/h2-3H2,1H3,(H,8,12)(H,9,11)
InChIKeyDLGUECAHLJJNLW-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

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N-methylpropanamide?
The IUPAC name of 3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N-methylpropanamide (CID 64622228) is 3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N-methylpropanamide.
What is the SMILES notation for 3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N-methylpropanamide?
The canonical SMILES for 3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N-methylpropanamide is CNC(=O)CCNc1nnc(Br)s1.
What is the InChIKey of 3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N-methylpropanamide?
The InChIKey is DLGUECAHLJJNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN4OS/c1-8-4(12)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 3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N-methylpropanamide?
3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N-methylpropanamide 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 3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N-methylpropanamide is sourced from PubChem (CID 64622228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).