N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide

C10H17N3O2S2 — CID 3158288

IUPACN-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide
SMILESCOCCSc1nnc(NC(=O)C(C)(C)C)s1
InChIInChI=1S/C10H17N3O2S2/c1-10(2,3)7(14)11-8-12-13-9(17-8)16-6-5-15-4/h5-6H2,1-4H3,(H,11,12,14)
InChIKeyHLTXSWZXJVCKPC-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.26
Rot. Bonds5

About N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide

N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide (PubChem CID 3158288) has the molecular formula C10H17N3O2S2 and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide
PubChem CID3158288
Molecular FormulaC10H17N3O2S2
Molecular Weight275.40 g/mol
Exact Mass275.08
IUPAC NameN-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide
SMILESCOCCSc1nnc(NC(=O)C(C)(C)C)s1
InChIInChI=1S/C10H17N3O2S2/c1-10(2,3)7(14)11-8-12-13-9(17-8)16-6-5-15-4/h5-6H2,1-4H3,(H,11,12,14)
InChIKeyHLTXSWZXJVCKPC-UHFFFAOYSA-N
XLogP2.26
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

Analyze N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide 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-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide (CID 3158288) is N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide is COCCSc1nnc(NC(=O)C(C)(C)C)s1.
What is the InChIKey of N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide?
The InChIKey is HLTXSWZXJVCKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S2/c1-10(2,3)7(14)11-8-12-13-9(17-8)16-6-5-15-4/h5-6H2,1-4H3,(H,11,12,14).
What are the key properties of N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide?
N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide has a molecular weight of 275.40 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 3158288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).