ethyl 2-[(4-methylthiadiazole-5-carbonyl)amino]acetate

C8H11N3O3S — CID 60816918

IUPACethyl 2-[(4-methylthiadiazole-5-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1snnc1C
InChIInChI=1S/C8H11N3O3S/c1-3-14-6(12)4-9-8(13)7-5(2)10-11-15-7/h3-4H2,1-2H3,(H,9,13)
InChIKeyKGAGDPFQSYZNQH-UHFFFAOYSA-N
MW229.26 g/mol
LogP0.14
Rot. Bonds4

About ethyl 2-[(4-methylthiadiazole-5-carbonyl)amino]acetate

ethyl 2-[(4-methylthiadiazole-5-carbonyl)amino]acetate (PubChem CID 60816918) has the molecular formula C8H11N3O3S and a molecular weight of 229.26 g/mol. Its IUPAC name is ethyl 2-[(4-methylthiadiazole-5-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-methylthiadiazole-5-carbonyl)amino]acetate
PubChem CID60816918
Molecular FormulaC8H11N3O3S
Molecular Weight229.26 g/mol
Exact Mass229.05
IUPAC Nameethyl 2-[(4-methylthiadiazole-5-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1snnc1C
InChIInChI=1S/C8H11N3O3S/c1-3-14-6(12)4-9-8(13)7-5(2)10-11-15-7/h3-4H2,1-2H3,(H,9,13)
InChIKeyKGAGDPFQSYZNQH-UHFFFAOYSA-N
XLogP0.14
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[(4-methylthiadiazole-5-carbonyl)amino]acetate with MolForge

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

Launch Full Analysis

Related Compounds

N-(1-ethyl-2-hydroxyethyl)(4-methyl(1,2,3-thiadiazol-5-yl))carboxamide
CID 6852055
N-[1-(2-Methoxyethyl)piperidin-4-YL]-4-methyl-1,2,3-thiadiazole-5-carboxamide
CID 71784705
4-methyl-N-(4-morpholinobut-2-yn-1-yl)-1,2,3-thiadiazole-5-carboxamide
CID 71792701
N-(2-hydroxy-3-methoxy-2-methylpropyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide
CID 56724183
(4-Methylthiadiazol-5-yl)-morpholin-4-ylmethanone
CID 7576678
N-butyl-4-methylthiadiazole-5-carboxamide
CID 20383917
N-(2,2-diethoxyethyl)-4-methylthiadiazole-5-carboxamide
CID 70606000
N-(2-ethoxyethyl)-4-methylthiadiazole-5-carboxamide
CID 70606268
N-(2,2-dimethylpropyl)-4-methylthiadiazole-5-carboxamide
CID 167221291
Methyl 2-[[2-(4-methylthiadiazole-5-carbonyl)pyrazolidine-1-carbothioyl]amino]acetate
CID 3559349
Ethyl 2-[[2-(4-methylthiadiazole-5-carbonyl)pyrazolidine-1-carbothioyl]amino]acetate
CID 3863369
N-[(2S)-1-hydroxybutan-2-yl]-4-methylthiadiazole-5-carboxamide
CID 7293411

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-methylthiadiazole-5-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[(4-methylthiadiazole-5-carbonyl)amino]acetate (CID 60816918) is ethyl 2-[(4-methylthiadiazole-5-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(4-methylthiadiazole-5-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[(4-methylthiadiazole-5-carbonyl)amino]acetate is CCOC(=O)CNC(=O)c1snnc1C.
What is the InChIKey of ethyl 2-[(4-methylthiadiazole-5-carbonyl)amino]acetate?
The InChIKey is KGAGDPFQSYZNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3S/c1-3-14-6(12)4-9-8(13)7-5(2)10-11-15-7/h3-4H2,1-2H3,(H,9,13).
What are the key properties of ethyl 2-[(4-methylthiadiazole-5-carbonyl)amino]acetate?
ethyl 2-[(4-methylthiadiazole-5-carbonyl)amino]acetate has a molecular weight of 229.26 g/mol, XLogP of 0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-methylthiadiazole-5-carbonyl)amino]acetate is sourced from PubChem (CID 60816918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).