5-amino-N-(2-ethoxyethyl)-N-ethyl-1,3,4-thiadiazole-2-carboxamide

C9H16N4O2S — CID 80616752

IUPAC5-amino-N-(2-ethoxyethyl)-N-ethyl-1,3,4-thiadiazole-2-carboxamide
SMILESCCOCCN(CC)C(=O)c1nnc(N)s1
InChIInChI=1S/C9H16N4O2S/c1-3-13(5-6-15-4-2)8(14)7-11-12-9(10)16-7/h3-6H2,1-2H3,(H2,10,12)
InChIKeyWPQKFVZNNDIADF-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.62
Rot. Bonds6

About 5-amino-N-(2-ethoxyethyl)-N-ethyl-1,3,4-thiadiazole-2-carboxamide

5-amino-N-(2-ethoxyethyl)-N-ethyl-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80616752) has the molecular formula C9H16N4O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is 5-amino-N-(2-ethoxyethyl)-N-ethyl-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-ethoxyethyl)-N-ethyl-1,3,4-thiadiazole-2-carboxamide
PubChem CID80616752
Molecular FormulaC9H16N4O2S
Molecular Weight244.32 g/mol
Exact Mass244.10
IUPAC Name5-amino-N-(2-ethoxyethyl)-N-ethyl-1,3,4-thiadiazole-2-carboxamide
SMILESCCOCCN(CC)C(=O)c1nnc(N)s1
InChIInChI=1S/C9H16N4O2S/c1-3-13(5-6-15-4-2)8(14)7-11-12-9(10)16-7/h3-6H2,1-2H3,(H2,10,12)
InChIKeyWPQKFVZNNDIADF-UHFFFAOYSA-N
XLogP0.62
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-amino-N-(2-ethoxyethyl)-N-ethyl-1,3,4-thiadiazole-2-carboxamide 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

5-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80617326
5-(methylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80617494
5-amino-N-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 105923878
N-[2-(2,2-difluoroethoxy)ethyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 105923935
N-[5-(morpholine-4-carbonyl)-1,3,4-thiadiazol-2-yl]formamide
CID 87388416
Ethyl 2-formamidoacetate;5-(methylaminomethyl)-1,3,4-thiadiazol-2-amine
CID 144209022
5-[[Bis(2-methoxyethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 79021831
2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 80606199
N-(2-methoxyethyl)-2-[methyl-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]acetamide
CID 80606402
2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-methylamino]-N,N-diethylacetamide
CID 80606410
2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 80606499
5-[[2-Ethoxyethyl(ethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80608332

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-ethoxyethyl)-N-ethyl-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-amino-N-(2-ethoxyethyl)-N-ethyl-1,3,4-thiadiazole-2-carboxamide (CID 80616752) is 5-amino-N-(2-ethoxyethyl)-N-ethyl-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-amino-N-(2-ethoxyethyl)-N-ethyl-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-amino-N-(2-ethoxyethyl)-N-ethyl-1,3,4-thiadiazole-2-carboxamide is CCOCCN(CC)C(=O)c1nnc(N)s1.
What is the InChIKey of 5-amino-N-(2-ethoxyethyl)-N-ethyl-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is WPQKFVZNNDIADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S/c1-3-13(5-6-15-4-2)8(14)7-11-12-9(10)16-7/h3-6H2,1-2H3,(H2,10,12).
What are the key properties of 5-amino-N-(2-ethoxyethyl)-N-ethyl-1,3,4-thiadiazole-2-carboxamide?
5-amino-N-(2-ethoxyethyl)-N-ethyl-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 244.32 g/mol, XLogP of 0.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-ethoxyethyl)-N-ethyl-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80616752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).