2-dodecylsulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide

C18H33N3OS2 — CID 4597198

IUPAC2-dodecylsulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCCCCCCCCCCSCC(=O)Nc1nnc(CC)s1
InChIInChI=1S/C18H33N3OS2/c1-3-5-6-7-8-9-10-11-12-13-14-23-15-16(22)19-18-21-20-17(4-2)24-18/h3-15H2,1-2H3,(H,19,21,22)
InChIKeyOUVGJRGVLMXJBE-UHFFFAOYSA-N
MW371.62 g/mol
LogP5.69
Rot. Bonds15

About 2-dodecylsulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide

2-dodecylsulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 4597198) has the molecular formula C18H33N3OS2 and a molecular weight of 371.62 g/mol. Its IUPAC name is 2-dodecylsulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-dodecylsulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID4597198
Molecular FormulaC18H33N3OS2
Molecular Weight371.62 g/mol
Exact Mass371.21
IUPAC Name2-dodecylsulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCCCCCCCCCCSCC(=O)Nc1nnc(CC)s1
InChIInChI=1S/C18H33N3OS2/c1-3-5-6-7-8-9-10-11-12-13-14-23-15-16(22)19-18-21-20-17(4-2)24-18/h3-15H2,1-2H3,(H,19,21,22)
InChIKeyOUVGJRGVLMXJBE-UHFFFAOYSA-N
XLogP5.69
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.62
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-cyanopropylsulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 82531236
N-[5-[2-[2-[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]pentanamide
CID 3881316
2-(2-butoxyethoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 11778819
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-(5-octyl-1,3,4-thiadiazol-2-yl)acetamide
CID 55792983
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(5-octyl-1,3,4-thiadiazol-2-yl)acetamide
CID 43052396
5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanylpentanoic acid
CID 117097930
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 2231526
N-(5-pentyl-1,3,4-thiadiazol-2-yl)pentanamide
CID 2197904
N-(5-pentyl-1,3,4-thiadiazol-2-yl)butanamide
CID 4629599
2-(2-aminoethylsulfanyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 84561305
N-[5-[[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]methyl]-1,3,4-thiadiazol-2-yl]pentanamide
CID 3112369
N-(5-pentadecyl-1,3,4-thiadiazol-2-yl)acetamide
CID 5080643

Frequently Asked Questions

What is the IUPAC name of 2-dodecylsulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-dodecylsulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide (CID 4597198) is 2-dodecylsulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-dodecylsulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-dodecylsulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide is CCCCCCCCCCCCSCC(=O)Nc1nnc(CC)s1.
What is the InChIKey of 2-dodecylsulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is OUVGJRGVLMXJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3OS2/c1-3-5-6-7-8-9-10-11-12-13-14-23-15-16(22)19-18-21-20-17(4-2)24-18/h3-15H2,1-2H3,(H,19,21,22).
What are the key properties of 2-dodecylsulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
2-dodecylsulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 371.62 g/mol, XLogP of 5.69, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecylsulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 4597198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).