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

C7H11BrN4OS — CID 64623481

IUPAC2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N,N-dimethylpropanamide
SMILESCC(Nc1nnc(Br)s1)C(=O)N(C)C
InChIInChI=1S/C7H11BrN4OS/c1-4(5(13)12(2)3)9-7-11-10-6(8)14-7/h4H,1-3H3,(H,9,11)
InChIKeyKASJWFFNPXDXGJ-UHFFFAOYSA-N
MW279.16 g/mol
LogP1.19
Rot. Bonds3

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

2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N,N-dimethylpropanamide (PubChem CID 64623481) has the molecular formula C7H11BrN4OS and a molecular weight of 279.16 g/mol. Its IUPAC name is 2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N,N-dimethylpropanamide
PubChem CID64623481
Molecular FormulaC7H11BrN4OS
Molecular Weight279.16 g/mol
Exact Mass277.98
IUPAC Name2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N,N-dimethylpropanamide
SMILESCC(Nc1nnc(Br)s1)C(=O)N(C)C
InChIInChI=1S/C7H11BrN4OS/c1-4(5(13)12(2)3)9-7-11-10-6(8)14-7/h4H,1-3H3,(H,9,11)
InChIKeyKASJWFFNPXDXGJ-UHFFFAOYSA-N
XLogP1.19
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.16
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N,N-dimethylpropanamide (CID 64623481) is 2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N,N-dimethylpropanamide is CC(Nc1nnc(Br)s1)C(=O)N(C)C.
What is the InChIKey of 2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N,N-dimethylpropanamide?
The InChIKey is KASJWFFNPXDXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrN4OS/c1-4(5(13)12(2)3)9-7-11-10-6(8)14-7/h4H,1-3H3,(H,9,11).
What are the key properties of 2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N,N-dimethylpropanamide?
2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N,N-dimethylpropanamide has a molecular weight of 279.16 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 64623481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).