2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclooctylacetamide

C12H20N4OS2 — CID 18073825

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclooctylacetamide
SMILESNc1nnc(SCC(=O)NC2CCCCCCC2)s1
InChIInChI=1S/C12H20N4OS2/c13-11-15-16-12(19-11)18-8-10(17)14-9-6-4-2-1-3-5-7-9/h9H,1-8H2,(H2,13,15)(H,14,17)
InChIKeyMBQXPHUPECBMOJ-UHFFFAOYSA-N
MW300.45 g/mol
LogP2.44
Rot. Bonds4

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

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclooctylacetamide (PubChem CID 18073825) has the molecular formula C12H20N4OS2 and a molecular weight of 300.45 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclooctylacetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclooctylacetamide
PubChem CID18073825
Molecular FormulaC12H20N4OS2
Molecular Weight300.45 g/mol
Exact Mass300.11
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclooctylacetamide
SMILESNc1nnc(SCC(=O)NC2CCCCCCC2)s1
InChIInChI=1S/C12H20N4OS2/c13-11-15-16-12(19-11)18-8-10(17)14-9-6-4-2-1-3-5-7-9/h9H,1-8H2,(H2,13,15)(H,14,17)
InChIKeyMBQXPHUPECBMOJ-UHFFFAOYSA-N
XLogP2.44
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclooctylacetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclooctylacetamide (CID 18073825) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclooctylacetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclooctylacetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclooctylacetamide is Nc1nnc(SCC(=O)NC2CCCCCCC2)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclooctylacetamide?
The InChIKey is MBQXPHUPECBMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS2/c13-11-15-16-12(19-11)18-8-10(17)14-9-6-4-2-1-3-5-7-9/h9H,1-8H2,(H2,13,15)(H,14,17).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclooctylacetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclooctylacetamide has a molecular weight of 300.45 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclooctylacetamide is sourced from PubChem (CID 18073825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).