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

C8H14N4O2S2 — CID 7968998

IUPAC2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methylacetamide
SMILESCNC(=O)CSc1nnc(NCCOC)s1
InChIInChI=1S/C8H14N4O2S2/c1-9-6(13)5-15-8-12-11-7(16-8)10-3-4-14-2/h3-5H2,1-2H3,(H,9,13)(H,10,11)
InChIKeyJIAYLOHPOCAZIA-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.43
Rot. Bonds7

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

2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methylacetamide (PubChem CID 7968998) has the molecular formula C8H14N4O2S2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methylacetamide
PubChem CID7968998
Molecular FormulaC8H14N4O2S2
Molecular Weight262.36 g/mol
Exact Mass262.06
IUPAC Name2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methylacetamide
SMILESCNC(=O)CSc1nnc(NCCOC)s1
InChIInChI=1S/C8H14N4O2S2/c1-9-6(13)5-15-8-12-11-7(16-8)10-3-4-14-2/h3-5H2,1-2H3,(H,9,13)(H,10,11)
InChIKeyJIAYLOHPOCAZIA-UHFFFAOYSA-N
XLogP0.43
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.43
H-Bond Donors ≤ 52
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-methylacetamide?
The IUPAC name of 2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methylacetamide (CID 7968998) is 2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methylacetamide.
What is the SMILES notation for 2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methylacetamide?
The canonical SMILES for 2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methylacetamide is CNC(=O)CSc1nnc(NCCOC)s1.
What is the InChIKey of 2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methylacetamide?
The InChIKey is JIAYLOHPOCAZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2S2/c1-9-6(13)5-15-8-12-11-7(16-8)10-3-4-14-2/h3-5H2,1-2H3,(H,9,13)(H,10,11).
What are the key properties of 2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methylacetamide?
2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methylacetamide has a molecular weight of 262.36 g/mol, XLogP of 0.43, 7 rotatable bonds, 2 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-methylacetamide is sourced from PubChem (CID 7968998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).