2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide

C9H16N4O2S2 — CID 7965325

IUPAC2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide
SMILESCOCCNc1nnc(SCC(=O)N(C)C)s1
InChIInChI=1S/C9H16N4O2S2/c1-13(2)7(14)6-16-9-12-11-8(17-9)10-4-5-15-3/h4-6H2,1-3H3,(H,10,11)
InChIKeyYDUVNEZATLVKAW-UHFFFAOYSA-N
MW276.39 g/mol
LogP0.78
Rot. Bonds7

About 2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide

2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide (PubChem CID 7965325) has the molecular formula C9H16N4O2S2 and a molecular weight of 276.39 g/mol. Its IUPAC name is 2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide
PubChem CID7965325
Molecular FormulaC9H16N4O2S2
Molecular Weight276.39 g/mol
Exact Mass276.07
IUPAC Name2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide
SMILESCOCCNc1nnc(SCC(=O)N(C)C)s1
InChIInChI=1S/C9H16N4O2S2/c1-13(2)7(14)6-16-9-12-11-8(17-9)10-4-5-15-3/h4-6H2,1-3H3,(H,10,11)
InChIKeyYDUVNEZATLVKAW-UHFFFAOYSA-N
XLogP0.78
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide?
The IUPAC name of 2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide (CID 7965325) is 2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide is COCCNc1nnc(SCC(=O)N(C)C)s1.
What is the InChIKey of 2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide?
The InChIKey is YDUVNEZATLVKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S2/c1-13(2)7(14)6-16-9-12-11-8(17-9)10-4-5-15-3/h4-6H2,1-3H3,(H,10,11).
What are the key properties of 2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide?
2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide has a molecular weight of 276.39 g/mol, XLogP of 0.78, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide is sourced from PubChem (CID 7965325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).