N',N'-diethyl-N-(1,3,4-thiadiazol-2-yl)oxamide

C8H12N4O2S — CID 47335932

IUPACN',N'-diethyl-N-(1,3,4-thiadiazol-2-yl)oxamide
SMILESCCN(CC)C(=O)C(=O)Nc1nncs1
InChIInChI=1S/C8H12N4O2S/c1-3-12(4-2)7(14)6(13)10-8-11-9-5-15-8/h5H,3-4H2,1-2H3,(H,10,11,13)
InChIKeyJWODQRSGSUJYOE-UHFFFAOYSA-N
MW228.28 g/mol
LogP0.34
Rot. Bonds3

About N',N'-diethyl-N-(1,3,4-thiadiazol-2-yl)oxamide

N',N'-diethyl-N-(1,3,4-thiadiazol-2-yl)oxamide (PubChem CID 47335932) has the molecular formula C8H12N4O2S and a molecular weight of 228.28 g/mol. Its IUPAC name is N',N'-diethyl-N-(1,3,4-thiadiazol-2-yl)oxamide.

Molecular Properties

Compound NameN',N'-diethyl-N-(1,3,4-thiadiazol-2-yl)oxamide
PubChem CID47335932
Molecular FormulaC8H12N4O2S
Molecular Weight228.28 g/mol
Exact Mass228.07
IUPAC NameN',N'-diethyl-N-(1,3,4-thiadiazol-2-yl)oxamide
SMILESCCN(CC)C(=O)C(=O)Nc1nncs1
InChIInChI=1S/C8H12N4O2S/c1-3-12(4-2)7(14)6(13)10-8-11-9-5-15-8/h5H,3-4H2,1-2H3,(H,10,11,13)
InChIKeyJWODQRSGSUJYOE-UHFFFAOYSA-N
XLogP0.34
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-(1,3,4-thiadiazol-2-yl)oxamide?
The IUPAC name of N',N'-diethyl-N-(1,3,4-thiadiazol-2-yl)oxamide (CID 47335932) is N',N'-diethyl-N-(1,3,4-thiadiazol-2-yl)oxamide.
What is the SMILES notation for N',N'-diethyl-N-(1,3,4-thiadiazol-2-yl)oxamide?
The canonical SMILES for N',N'-diethyl-N-(1,3,4-thiadiazol-2-yl)oxamide is CCN(CC)C(=O)C(=O)Nc1nncs1.
What is the InChIKey of N',N'-diethyl-N-(1,3,4-thiadiazol-2-yl)oxamide?
The InChIKey is JWODQRSGSUJYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2S/c1-3-12(4-2)7(14)6(13)10-8-11-9-5-15-8/h5H,3-4H2,1-2H3,(H,10,11,13).
What are the key properties of N',N'-diethyl-N-(1,3,4-thiadiazol-2-yl)oxamide?
N',N'-diethyl-N-(1,3,4-thiadiazol-2-yl)oxamide has a molecular weight of 228.28 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-(1,3,4-thiadiazol-2-yl)oxamide is sourced from PubChem (CID 47335932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).