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

C12H20N4O2S — CID 47336117

IUPACN',N'-bis(2-methylpropyl)-N-(1,3,4-thiadiazol-2-yl)oxamide
SMILESCC(C)CN(CC(C)C)C(=O)C(=O)Nc1nncs1
InChIInChI=1S/C12H20N4O2S/c1-8(2)5-16(6-9(3)4)11(18)10(17)14-12-15-13-7-19-12/h7-9H,5-6H2,1-4H3,(H,14,15,17)
InChIKeyHPOPLQIBGQSTGH-UHFFFAOYSA-N
MW284.39 g/mol
LogP1.62
Rot. Bonds5

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

N',N'-bis(2-methylpropyl)-N-(1,3,4-thiadiazol-2-yl)oxamide (PubChem CID 47336117) has the molecular formula C12H20N4O2S and a molecular weight of 284.39 g/mol. Its IUPAC name is N',N'-bis(2-methylpropyl)-N-(1,3,4-thiadiazol-2-yl)oxamide.

Molecular Properties

Compound NameN',N'-bis(2-methylpropyl)-N-(1,3,4-thiadiazol-2-yl)oxamide
PubChem CID47336117
Molecular FormulaC12H20N4O2S
Molecular Weight284.39 g/mol
Exact Mass284.13
IUPAC NameN',N'-bis(2-methylpropyl)-N-(1,3,4-thiadiazol-2-yl)oxamide
SMILESCC(C)CN(CC(C)C)C(=O)C(=O)Nc1nncs1
InChIInChI=1S/C12H20N4O2S/c1-8(2)5-16(6-9(3)4)11(18)10(17)14-12-15-13-7-19-12/h7-9H,5-6H2,1-4H3,(H,14,15,17)
InChIKeyHPOPLQIBGQSTGH-UHFFFAOYSA-N
XLogP1.62
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N',N'-bis(2-methylpropyl)-N-(1,3,4-thiadiazol-2-yl)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',N'-bis(2-methylpropyl)-N-(1,3,4-thiadiazol-2-yl)oxamide?
The IUPAC name of N',N'-bis(2-methylpropyl)-N-(1,3,4-thiadiazol-2-yl)oxamide (CID 47336117) is N',N'-bis(2-methylpropyl)-N-(1,3,4-thiadiazol-2-yl)oxamide.
What is the SMILES notation for N',N'-bis(2-methylpropyl)-N-(1,3,4-thiadiazol-2-yl)oxamide?
The canonical SMILES for N',N'-bis(2-methylpropyl)-N-(1,3,4-thiadiazol-2-yl)oxamide is CC(C)CN(CC(C)C)C(=O)C(=O)Nc1nncs1.
What is the InChIKey of N',N'-bis(2-methylpropyl)-N-(1,3,4-thiadiazol-2-yl)oxamide?
The InChIKey is HPOPLQIBGQSTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-8(2)5-16(6-9(3)4)11(18)10(17)14-12-15-13-7-19-12/h7-9H,5-6H2,1-4H3,(H,14,15,17).
What are the key properties of N',N'-bis(2-methylpropyl)-N-(1,3,4-thiadiazol-2-yl)oxamide?
N',N'-bis(2-methylpropyl)-N-(1,3,4-thiadiazol-2-yl)oxamide has a molecular weight of 284.39 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis(2-methylpropyl)-N-(1,3,4-thiadiazol-2-yl)oxamide is sourced from PubChem (CID 47336117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).