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

C12H20N4O2S — CID 47336026

IUPACN',N'-dibutyl-N-(1,3,4-thiadiazol-2-yl)oxamide
SMILESCCCCN(CCCC)C(=O)C(=O)Nc1nncs1
InChIInChI=1S/C12H20N4O2S/c1-3-5-7-16(8-6-4-2)11(18)10(17)14-12-15-13-9-19-12/h9H,3-8H2,1-2H3,(H,14,15,17)
InChIKeyYXFOLSUZEJHBRF-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.91
Rot. Bonds7

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

N',N'-dibutyl-N-(1,3,4-thiadiazol-2-yl)oxamide (PubChem CID 47336026) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is N',N'-dibutyl-N-(1,3,4-thiadiazol-2-yl)oxamide.

Molecular Properties

Compound NameN',N'-dibutyl-N-(1,3,4-thiadiazol-2-yl)oxamide
PubChem CID47336026
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC NameN',N'-dibutyl-N-(1,3,4-thiadiazol-2-yl)oxamide
SMILESCCCCN(CCCC)C(=O)C(=O)Nc1nncs1
InChIInChI=1S/C12H20N4O2S/c1-3-5-7-16(8-6-4-2)11(18)10(17)14-12-15-13-9-19-12/h9H,3-8H2,1-2H3,(H,14,15,17)
InChIKeyYXFOLSUZEJHBRF-UHFFFAOYSA-N
XLogP1.91
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.91
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'-dibutyl-N-(1,3,4-thiadiazol-2-yl)oxamide?
The IUPAC name of N',N'-dibutyl-N-(1,3,4-thiadiazol-2-yl)oxamide (CID 47336026) is N',N'-dibutyl-N-(1,3,4-thiadiazol-2-yl)oxamide.
What is the SMILES notation for N',N'-dibutyl-N-(1,3,4-thiadiazol-2-yl)oxamide?
The canonical SMILES for N',N'-dibutyl-N-(1,3,4-thiadiazol-2-yl)oxamide is CCCCN(CCCC)C(=O)C(=O)Nc1nncs1.
What is the InChIKey of N',N'-dibutyl-N-(1,3,4-thiadiazol-2-yl)oxamide?
The InChIKey is YXFOLSUZEJHBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-3-5-7-16(8-6-4-2)11(18)10(17)14-12-15-13-9-19-12/h9H,3-8H2,1-2H3,(H,14,15,17).
What are the key properties of N',N'-dibutyl-N-(1,3,4-thiadiazol-2-yl)oxamide?
N',N'-dibutyl-N-(1,3,4-thiadiazol-2-yl)oxamide has a molecular weight of 284.38 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dibutyl-N-(1,3,4-thiadiazol-2-yl)oxamide is sourced from PubChem (CID 47336026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).