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

C5H7BrN4OS — CID 64624512

IUPAC2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N-methylacetamide
SMILESCNC(=O)CNc1nnc(Br)s1
InChIInChI=1S/C5H7BrN4OS/c1-7-3(11)2-8-5-10-9-4(6)12-5/h2H2,1H3,(H,7,11)(H,8,10)
InChIKeyMHPCDMMJLTUGMY-UHFFFAOYSA-N
MW251.11 g/mol
LogP0.46
Rot. Bonds3

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

2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N-methylacetamide (PubChem CID 64624512) has the molecular formula C5H7BrN4OS and a molecular weight of 251.11 g/mol. Its IUPAC name is 2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N-methylacetamide
PubChem CID64624512
Molecular FormulaC5H7BrN4OS
Molecular Weight251.11 g/mol
Exact Mass249.95
IUPAC Name2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N-methylacetamide
SMILESCNC(=O)CNc1nnc(Br)s1
InChIInChI=1S/C5H7BrN4OS/c1-7-3(11)2-8-5-10-9-4(6)12-5/h2H2,1H3,(H,7,11)(H,8,10)
InChIKeyMHPCDMMJLTUGMY-UHFFFAOYSA-N
XLogP0.46
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.11
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N-methylpropanamide
CID 130634402
2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-1-pyrrolidin-1-ylethanone
CID 115643786
3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N,N-dimethylpropanamide
CID 64625316
2-[[2-(methylamino)-2-oxoethyl]amino]-1,3-thiazole-5-carboxylic acid
CID 80571798
methyl 5-methyl-2-[[2-(methylamino)-2-oxoethyl]amino]-1,3-thiazole-4-carboxylate
CID 115423500
2-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]acetyl]amino]acetic acid
CID 65209699
(5-bromo-1,3,4-thiadiazol-2-yl)carbamic acid
CID 69158833
5-bromo-N-(4-methylpentyl)-1,3,4-thiadiazol-2-amine
CID 64623077
N-methyl-2-[(4-methylthiophen-3-yl)amino]acetamide
CID 131043094
2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-methylacetamide
CID 106595138
5-bromo-N-(7-methyloctyl)-1,3,4-thiadiazol-2-amine
CID 107817577
1-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]pentan-2-ol
CID 115643874

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N-methylacetamide?
The IUPAC name of 2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N-methylacetamide (CID 64624512) is 2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N-methylacetamide.
What is the SMILES notation for 2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N-methylacetamide?
The canonical SMILES for 2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N-methylacetamide is CNC(=O)CNc1nnc(Br)s1.
What is the InChIKey of 2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N-methylacetamide?
The InChIKey is MHPCDMMJLTUGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrN4OS/c1-7-3(11)2-8-5-10-9-4(6)12-5/h2H2,1H3,(H,7,11)(H,8,10).
What are the key properties of 2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N-methylacetamide?
2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N-methylacetamide has a molecular weight of 251.11 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 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-methylacetamide is sourced from PubChem (CID 64624512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).