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

C7H11BrN4OS — CID 64625316

IUPAC3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNc1nnc(Br)s1
InChIInChI=1S/C7H11BrN4OS/c1-12(2)5(13)3-4-9-7-11-10-6(8)14-7/h3-4H2,1-2H3,(H,9,11)
InChIKeyRKVFMVGJABUZNP-UHFFFAOYSA-N
MW279.16 g/mol
LogP1.19
Rot. Bonds4

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

3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N,N-dimethylpropanamide (PubChem CID 64625316) has the molecular formula C7H11BrN4OS and a molecular weight of 279.16 g/mol. Its IUPAC name is 3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N,N-dimethylpropanamide
PubChem CID64625316
Molecular FormulaC7H11BrN4OS
Molecular Weight279.16 g/mol
Exact Mass277.98
IUPAC Name3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNc1nnc(Br)s1
InChIInChI=1S/C7H11BrN4OS/c1-12(2)5(13)3-4-9-7-11-10-6(8)14-7/h3-4H2,1-2H3,(H,9,11)
InChIKeyRKVFMVGJABUZNP-UHFFFAOYSA-N
XLogP1.19
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
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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Related Compounds

4-[(5-Bromo-1,3,4-thiadiazol-2-yl)amino]butan-2-one
CID 67409624
3-(methylamino)-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 61713390
N,N-dimethyl-3-(1,3,4-thiadiazol-2-ylamino)propanamide
CID 64158005
N-methyl-3-(1,3,4-thiadiazol-2-ylamino)propanamide
CID 64159113
3-(1,3,4-Thiadiazol-2-ylamino)propanamide
CID 64160002
3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N-methylpropanamide
CID 64622228
3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N-propylpropanamide
CID 64622442
1-(5-Bromo-1,3,4-thiadiazol-2-yl)-1,4-diazepan-5-one
CID 64623078
N-[2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]ethyl]acetamide
CID 64623259
3-[(5-Bromo-1,3,4-thiadiazol-2-yl)amino]propanamide
CID 64623260
2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N-methylpropanamide
CID 64623269
2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N,N-dimethylpropanamide
CID 64623481

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N,N-dimethylpropanamide (CID 64625316) is 3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N,N-dimethylpropanamide is CN(C)C(=O)CCNc1nnc(Br)s1.
What is the InChIKey of 3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N,N-dimethylpropanamide?
The InChIKey is RKVFMVGJABUZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrN4OS/c1-12(2)5(13)3-4-9-7-11-10-6(8)14-7/h3-4H2,1-2H3,(H,9,11).
What are the key properties of 3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N,N-dimethylpropanamide?
3-[(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, 4 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-dimethylpropanamide is sourced from PubChem (CID 64625316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).