N'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(2-hydroxyethyl)oxamide

C8H12N4O3S — CID 5145554

IUPACN'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(2-hydroxyethyl)oxamide
SMILESCCc1nnc(NC(=O)C(=O)NCCO)s1
InChIInChI=1S/C8H12N4O3S/c1-2-5-11-12-8(16-5)10-7(15)6(14)9-3-4-13/h13H,2-4H2,1H3,(H,9,14)(H,10,12,15)
InChIKeyHZDOBUGVJYWLAP-UHFFFAOYSA-N
MW244.28 g/mol
LogP-0.85
Rot. Bonds4

About N'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(2-hydroxyethyl)oxamide

N'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(2-hydroxyethyl)oxamide (PubChem CID 5145554) has the molecular formula C8H12N4O3S and a molecular weight of 244.28 g/mol. Its IUPAC name is N'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(2-hydroxyethyl)oxamide.

Molecular Properties

Compound NameN'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(2-hydroxyethyl)oxamide
PubChem CID5145554
Molecular FormulaC8H12N4O3S
Molecular Weight244.28 g/mol
Exact Mass244.06
IUPAC NameN'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(2-hydroxyethyl)oxamide
SMILESCCc1nnc(NC(=O)C(=O)NCCO)s1
InChIInChI=1S/C8H12N4O3S/c1-2-5-11-12-8(16-5)10-7(15)6(14)9-3-4-13/h13H,2-4H2,1H3,(H,9,14)(H,10,12,15)
InChIKeyHZDOBUGVJYWLAP-UHFFFAOYSA-N
XLogP-0.85
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(2-hydroxyethyl)oxamide 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 N'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(2-hydroxyethyl)oxamide?
The IUPAC name of N'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(2-hydroxyethyl)oxamide (CID 5145554) is N'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(2-hydroxyethyl)oxamide.
What is the SMILES notation for N'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(2-hydroxyethyl)oxamide?
The canonical SMILES for N'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(2-hydroxyethyl)oxamide is CCc1nnc(NC(=O)C(=O)NCCO)s1.
What is the InChIKey of N'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(2-hydroxyethyl)oxamide?
The InChIKey is HZDOBUGVJYWLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3S/c1-2-5-11-12-8(16-5)10-7(15)6(14)9-3-4-13/h13H,2-4H2,1H3,(H,9,14)(H,10,12,15).
What are the key properties of N'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(2-hydroxyethyl)oxamide?
N'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(2-hydroxyethyl)oxamide has a molecular weight of 244.28 g/mol, XLogP of -0.85, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(2-hydroxyethyl)oxamide is sourced from PubChem (CID 5145554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).