2-[(2-amino-2-oxoethyl)-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]acetamide

C8H14N6O2S — CID 55157027

IUPAC2-[(2-amino-2-oxoethyl)-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]acetamide
SMILESCNc1snnc1CN(CC(N)=O)CC(N)=O
InChIInChI=1S/C8H14N6O2S/c1-11-8-5(12-13-17-8)2-14(3-6(9)15)4-7(10)16/h11H,2-4H2,1H3,(H2,9,15)(H2,10,16)
InChIKeyHLLJHIFXDCFAND-UHFFFAOYSA-N
MW258.31 g/mol
LogP-1.65
Rot. Bonds7

About 2-[(2-amino-2-oxoethyl)-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]acetamide

2-[(2-amino-2-oxoethyl)-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]acetamide (PubChem CID 55157027) has the molecular formula C8H14N6O2S and a molecular weight of 258.31 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]acetamide.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]acetamide
PubChem CID55157027
Molecular FormulaC8H14N6O2S
Molecular Weight258.31 g/mol
Exact Mass258.09
IUPAC Name2-[(2-amino-2-oxoethyl)-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]acetamide
SMILESCNc1snnc1CN(CC(N)=O)CC(N)=O
InChIInChI=1S/C8H14N6O2S/c1-11-8-5(12-13-17-8)2-14(3-6(9)15)4-7(10)16/h11H,2-4H2,1H3,(H2,9,15)(H2,10,16)
InChIKeyHLLJHIFXDCFAND-UHFFFAOYSA-N
XLogP-1.65
TPSA127.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 5-1.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[(2-amino-2-oxoethyl)-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]acetamide?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]acetamide (CID 55157027) is 2-[(2-amino-2-oxoethyl)-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]acetamide.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]acetamide?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]acetamide is CNc1snnc1CN(CC(N)=O)CC(N)=O.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]acetamide?
The InChIKey is HLLJHIFXDCFAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N6O2S/c1-11-8-5(12-13-17-8)2-14(3-6(9)15)4-7(10)16/h11H,2-4H2,1H3,(H2,9,15)(H2,10,16).
What are the key properties of 2-[(2-amino-2-oxoethyl)-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]acetamide?
2-[(2-amino-2-oxoethyl)-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]acetamide has a molecular weight of 258.31 g/mol, XLogP of -1.65, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]acetamide is sourced from PubChem (CID 55157027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).