2-[(2-amino-2-oxoethyl)-(5-bromo-1,3,4-thiadiazol-2-yl)amino]acetamide

C6H8BrN5O2S — CID 64625127

IUPAC2-[(2-amino-2-oxoethyl)-(5-bromo-1,3,4-thiadiazol-2-yl)amino]acetamide
SMILESNC(=O)CN(CC(N)=O)c1nnc(Br)s1
InChIInChI=1S/C6H8BrN5O2S/c7-5-10-11-6(15-5)12(1-3(8)13)2-4(9)14/h1-2H2,(H2,8,13)(H2,9,14)
InChIKeyCDURRLKXMPTRNG-UHFFFAOYSA-N
MW294.13 g/mol
LogP-0.92
Rot. Bonds5

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

2-[(2-amino-2-oxoethyl)-(5-bromo-1,3,4-thiadiazol-2-yl)amino]acetamide (PubChem CID 64625127) has the molecular formula C6H8BrN5O2S and a molecular weight of 294.13 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-(5-bromo-1,3,4-thiadiazol-2-yl)amino]acetamide.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-(5-bromo-1,3,4-thiadiazol-2-yl)amino]acetamide
PubChem CID64625127
Molecular FormulaC6H8BrN5O2S
Molecular Weight294.13 g/mol
Exact Mass292.96
IUPAC Name2-[(2-amino-2-oxoethyl)-(5-bromo-1,3,4-thiadiazol-2-yl)amino]acetamide
SMILESNC(=O)CN(CC(N)=O)c1nnc(Br)s1
InChIInChI=1S/C6H8BrN5O2S/c7-5-10-11-6(15-5)12(1-3(8)13)2-4(9)14/h1-2H2,(H2,8,13)(H2,9,14)
InChIKeyCDURRLKXMPTRNG-UHFFFAOYSA-N
XLogP-0.92
TPSA115.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.13
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-bromo-1,3,4-thiadiazol-2-yl)-propan-2-ylamino]acetamide
CID 64624528
2-[(2-amino-2-oxoethyl)-(4-bromo-1,3-thiazol-2-yl)amino]acetamide
CID 79399792
2-[(2-amino-2-oxoethyl)-(3-amino-1,2,4-thiadiazol-5-yl)amino]acetamide
CID 66280993
2-[(2-aminophenyl)methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]acetamide
CID 65208045
2-[(5-bromo-1,3,4-thiadiazol-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 64624526
1-[(5-bromo-1,3,4-thiadiazol-2-yl)-methylamino]propan-2-ol
CID 64622447
3-[(5-bromo-1,3,4-thiadiazol-2-yl)-ethylamino]propanenitrile
CID 64624729
2-[(5-bromo-1,3,4-thiadiazol-2-yl)-cyclopropylamino]ethanol
CID 64624732
2-[(5-amino-1,3-thiazol-2-yl)-butylamino]acetamide
CID 102768070
N-[2-[[(5-bromo-1,3,4-thiadiazol-2-yl)-ethylamino]methyl]-6-methylcyclohexyl]acetamide
CID 170024898
2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)-(2-amino-2-oxoethyl)amino]acetamide
CID 66027391
2-[(4-chloro-1,3-thiazol-2-yl)-ethylamino]acetamide
CID 103103685

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-(5-bromo-1,3,4-thiadiazol-2-yl)amino]acetamide?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-(5-bromo-1,3,4-thiadiazol-2-yl)amino]acetamide (CID 64625127) is 2-[(2-amino-2-oxoethyl)-(5-bromo-1,3,4-thiadiazol-2-yl)amino]acetamide.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-(5-bromo-1,3,4-thiadiazol-2-yl)amino]acetamide?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-(5-bromo-1,3,4-thiadiazol-2-yl)amino]acetamide is NC(=O)CN(CC(N)=O)c1nnc(Br)s1.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-(5-bromo-1,3,4-thiadiazol-2-yl)amino]acetamide?
The InChIKey is CDURRLKXMPTRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrN5O2S/c7-5-10-11-6(15-5)12(1-3(8)13)2-4(9)14/h1-2H2,(H2,8,13)(H2,9,14).
What are the key properties of 2-[(2-amino-2-oxoethyl)-(5-bromo-1,3,4-thiadiazol-2-yl)amino]acetamide?
2-[(2-amino-2-oxoethyl)-(5-bromo-1,3,4-thiadiazol-2-yl)amino]acetamide has a molecular weight of 294.13 g/mol, XLogP of -0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-(5-bromo-1,3,4-thiadiazol-2-yl)amino]acetamide is sourced from PubChem (CID 64625127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).