2-(2-ethoxyethoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide

C10H17N3O3S — CID 47066278

IUPAC2-(2-ethoxyethoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCOCCOC(C)C(=O)Nc1nnc(C)s1
InChIInChI=1S/C10H17N3O3S/c1-4-15-5-6-16-7(2)9(14)11-10-13-12-8(3)17-10/h7H,4-6H2,1-3H3,(H,11,13,14)
InChIKeyBLEUDTKWFCNEGL-UHFFFAOYSA-N
MW259.33 g/mol
LogP1.23
Rot. Bonds7

About 2-(2-ethoxyethoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide

2-(2-ethoxyethoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 47066278) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID47066278
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name2-(2-ethoxyethoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCOCCOC(C)C(=O)Nc1nnc(C)s1
InChIInChI=1S/C10H17N3O3S/c1-4-15-5-6-16-7(2)9(14)11-10-13-12-8(3)17-10/h7H,4-6H2,1-3H3,(H,11,13,14)
InChIKeyBLEUDTKWFCNEGL-UHFFFAOYSA-N
XLogP1.23
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(4-bromophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 7346755
2-(3-ethoxypropylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 3229609
5-(2-hexoxypropanoylamino)-1,3,4-thiadiazole-2-carboxamide
CID 166394650
(2S)-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]pentanoic acid
CID 104873943
2-cyano-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 115635315
2-(2-ethoxyethoxy)-N-[4-(methylcarbamoylamino)phenyl]propanamide
CID 47078303
2-[[(2R)-butan-2-yl]-methylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 95321408
(2R)-N-(3-acetamido-2-pyridinyl)-2-(2-ethoxyethoxy)propanamide
CID 97352364
2-(4-chloro-3-methylphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 2992863
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 23942509
methyl 2-(2-ethoxyethoxy)propanoate
CID 61234478
N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide;molecular hydrogen
CID 162747394

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 2-(2-ethoxyethoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide (CID 47066278) is 2-(2-ethoxyethoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 2-(2-ethoxyethoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 2-(2-ethoxyethoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide is CCOCCOC(C)C(=O)Nc1nnc(C)s1.
What is the InChIKey of 2-(2-ethoxyethoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is BLEUDTKWFCNEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-4-15-5-6-16-7(2)9(14)11-10-13-12-8(3)17-10/h7H,4-6H2,1-3H3,(H,11,13,14).
What are the key properties of 2-(2-ethoxyethoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
2-(2-ethoxyethoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 259.33 g/mol, XLogP of 1.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 47066278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).