2-[carbamimidoyl(methyl)amino]-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide

C6H11N7O3S2 — CID 10062976

IUPAC2-[carbamimidoyl(methyl)amino]-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide
SMILES[H]/N=C(\N)N(C)CC(=O)Nc1nnc(S(N)(=O)=O)s1
InChIInChI=1S/C6H11N7O3S2/c1-13(4(7)8)2-3(14)10-5-11-12-6(17-5)18(9,15)16/h2H2,1H3,(H3,7,8)(H2,9,15,16)(H,10,11,14)
InChIKeyUGKZABQBFUBOFG-UHFFFAOYSA-N
MW293.33 g/mol
LogP-2.05
Rot. Bonds4

About 2-[carbamimidoyl(methyl)amino]-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide

2-[carbamimidoyl(methyl)amino]-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 10062976) has the molecular formula C6H11N7O3S2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-[carbamimidoyl(methyl)amino]-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[carbamimidoyl(methyl)amino]-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID10062976
Molecular FormulaC6H11N7O3S2
Molecular Weight293.33 g/mol
Exact Mass293.04
IUPAC Name2-[carbamimidoyl(methyl)amino]-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide
SMILES[H]/N=C(\N)N(C)CC(=O)Nc1nnc(S(N)(=O)=O)s1
InChIInChI=1S/C6H11N7O3S2/c1-13(4(7)8)2-3(14)10-5-11-12-6(17-5)18(9,15)16/h2H2,1H3,(H3,7,8)(H2,9,15,16)(H,10,11,14)
InChIKeyUGKZABQBFUBOFG-UHFFFAOYSA-N
XLogP-2.05
TPSA168.15 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 5-2.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Related Compounds

3-[[2-[carbamimidoyl(methyl)amino]acetyl]amino]-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide
CID 10594934
[2-oxo-2-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]ethyl]azanium bromide
CID 15041395
3-(dimethylsulfamoylamino)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide
CID 101078048
2-[methyl-[(E)-N'-tritylsulfanylcarbamimidoyl]amino]-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide
CID 10578927
3-chloro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide
CID 54476371
4-amino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butanamide
CID 10015713
2-amino-N-[2-oxo-2-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]ethyl]acetamide
CID 10827620
(5-sulfamoyl-1,3,4-thiadiazol-2-yl)carbamothioic S-acid
CID 123430728
ethyl 6-oxo-6-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]hexanoate
CID 3083283
2-[carbamimidoyl(methyl)amino]-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 10637879
2,2-diamino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide
CID 130452184
(2S)-2-amino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide;hydrobromide
CID 18642236

Frequently Asked Questions

What is the IUPAC name of 2-[carbamimidoyl(methyl)amino]-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[carbamimidoyl(methyl)amino]-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide (CID 10062976) is 2-[carbamimidoyl(methyl)amino]-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[carbamimidoyl(methyl)amino]-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[carbamimidoyl(methyl)amino]-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide is [H]/N=C(\N)N(C)CC(=O)Nc1nnc(S(N)(=O)=O)s1.
What is the InChIKey of 2-[carbamimidoyl(methyl)amino]-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is UGKZABQBFUBOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N7O3S2/c1-13(4(7)8)2-3(14)10-5-11-12-6(17-5)18(9,15)16/h2H2,1H3,(H3,7,8)(H2,9,15,16)(H,10,11,14).
What are the key properties of 2-[carbamimidoyl(methyl)amino]-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide?
2-[carbamimidoyl(methyl)amino]-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 293.33 g/mol, XLogP of -2.05, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carbamimidoyl(methyl)amino]-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 10062976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).