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

C9H15BrN4OS — CID 115643804

IUPAC3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNc1nnc(Br)s1
InChIInChI=1S/C9H15BrN4OS/c1-3-14(4-2)7(15)5-6-11-9-13-12-8(10)16-9/h3-6H2,1-2H3,(H,11,13)
InChIKeyHUYQBULVPNLXOM-UHFFFAOYSA-N
MW307.22 g/mol
LogP1.97
Rot. Bonds6

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

3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N,N-diethylpropanamide (PubChem CID 115643804) has the molecular formula C9H15BrN4OS and a molecular weight of 307.22 g/mol. Its IUPAC name is 3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N,N-diethylpropanamide
PubChem CID115643804
Molecular FormulaC9H15BrN4OS
Molecular Weight307.22 g/mol
Exact Mass306.01
IUPAC Name3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNc1nnc(Br)s1
InChIInChI=1S/C9H15BrN4OS/c1-3-14(4-2)7(15)5-6-11-9-13-12-8(10)16-9/h3-6H2,1-2H3,(H,11,13)
InChIKeyHUYQBULVPNLXOM-UHFFFAOYSA-N
XLogP1.97
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.22
LogP ≤ 51.97
H-Bond Donors ≤ 51
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,N-diethylpropanamide?
The IUPAC name of 3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N,N-diethylpropanamide (CID 115643804) is 3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N,N-diethylpropanamide.
What is the SMILES notation for 3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N,N-diethylpropanamide?
The canonical SMILES for 3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N,N-diethylpropanamide is CCN(CC)C(=O)CCNc1nnc(Br)s1.
What is the InChIKey of 3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N,N-diethylpropanamide?
The InChIKey is HUYQBULVPNLXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN4OS/c1-3-14(4-2)7(15)5-6-11-9-13-12-8(10)16-9/h3-6H2,1-2H3,(H,11,13).
What are the key properties of 3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N,N-diethylpropanamide?
3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N,N-diethylpropanamide has a molecular weight of 307.22 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 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,N-diethylpropanamide is sourced from PubChem (CID 115643804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).