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

C10H16N4O2S — CID 47336615

IUPACN'-butyl-N'-ethyl-N-(1,3,4-thiadiazol-2-yl)oxamide
SMILESCCCCN(CC)C(=O)C(=O)Nc1nncs1
InChIInChI=1S/C10H16N4O2S/c1-3-5-6-14(4-2)9(16)8(15)12-10-13-11-7-17-10/h7H,3-6H2,1-2H3,(H,12,13,15)
InChIKeyFQGHFNSIISWGCE-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.13
Rot. Bonds5

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

N'-butyl-N'-ethyl-N-(1,3,4-thiadiazol-2-yl)oxamide (PubChem CID 47336615) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is N'-butyl-N'-ethyl-N-(1,3,4-thiadiazol-2-yl)oxamide.

Molecular Properties

Compound NameN'-butyl-N'-ethyl-N-(1,3,4-thiadiazol-2-yl)oxamide
PubChem CID47336615
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC NameN'-butyl-N'-ethyl-N-(1,3,4-thiadiazol-2-yl)oxamide
SMILESCCCCN(CC)C(=O)C(=O)Nc1nncs1
InChIInChI=1S/C10H16N4O2S/c1-3-5-6-14(4-2)9(16)8(15)12-10-13-11-7-17-10/h7H,3-6H2,1-2H3,(H,12,13,15)
InChIKeyFQGHFNSIISWGCE-UHFFFAOYSA-N
XLogP1.13
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.13
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'-butyl-N'-ethyl-N-(1,3,4-thiadiazol-2-yl)oxamide?
The IUPAC name of N'-butyl-N'-ethyl-N-(1,3,4-thiadiazol-2-yl)oxamide (CID 47336615) is N'-butyl-N'-ethyl-N-(1,3,4-thiadiazol-2-yl)oxamide.
What is the SMILES notation for N'-butyl-N'-ethyl-N-(1,3,4-thiadiazol-2-yl)oxamide?
The canonical SMILES for N'-butyl-N'-ethyl-N-(1,3,4-thiadiazol-2-yl)oxamide is CCCCN(CC)C(=O)C(=O)Nc1nncs1.
What is the InChIKey of N'-butyl-N'-ethyl-N-(1,3,4-thiadiazol-2-yl)oxamide?
The InChIKey is FQGHFNSIISWGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c1-3-5-6-14(4-2)9(16)8(15)12-10-13-11-7-17-10/h7H,3-6H2,1-2H3,(H,12,13,15).
What are the key properties of N'-butyl-N'-ethyl-N-(1,3,4-thiadiazol-2-yl)oxamide?
N'-butyl-N'-ethyl-N-(1,3,4-thiadiazol-2-yl)oxamide has a molecular weight of 256.33 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N'-ethyl-N-(1,3,4-thiadiazol-2-yl)oxamide is sourced from PubChem (CID 47336615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).