N-cyclooctyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

C13H21N3OS2 — CID 4255377

IUPACN-cyclooctyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)NC2CCCCCCC2)s1
InChIInChI=1S/C13H21N3OS2/c1-10-15-16-13(19-10)18-9-12(17)14-11-7-5-3-2-4-6-8-11/h11H,2-9H2,1H3,(H,14,17)
InChIKeyZAOBFEYFNXKRQI-UHFFFAOYSA-N
MW299.47 g/mol
LogP3.17
Rot. Bonds4

About N-cyclooctyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

N-cyclooctyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (PubChem CID 4255377) has the molecular formula C13H21N3OS2 and a molecular weight of 299.47 g/mol. Its IUPAC name is N-cyclooctyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclooctyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
PubChem CID4255377
Molecular FormulaC13H21N3OS2
Molecular Weight299.47 g/mol
Exact Mass299.11
IUPAC NameN-cyclooctyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)NC2CCCCCCC2)s1
InChIInChI=1S/C13H21N3OS2/c1-10-15-16-13(19-10)18-9-12(17)14-11-7-5-3-2-4-6-8-11/h11H,2-9H2,1H3,(H,14,17)
InChIKeyZAOBFEYFNXKRQI-UHFFFAOYSA-N
XLogP3.17
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.47
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-cyclooctyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (CID 4255377) is N-cyclooctyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-cyclooctyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-cyclooctyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is Cc1nnc(SCC(=O)NC2CCCCCCC2)s1.
What is the InChIKey of N-cyclooctyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is ZAOBFEYFNXKRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS2/c1-10-15-16-13(19-10)18-9-12(17)14-11-7-5-3-2-4-6-8-11/h11H,2-9H2,1H3,(H,14,17).
What are the key properties of N-cyclooctyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
N-cyclooctyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 299.47 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 4255377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).