2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(5-octyl-1,3,4-thiadiazol-2-yl)acetamide

C18H28N4O2S2 — CID 43052396

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(5-octyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCCCCCCc1nnc(NC(=O)CSCc2c(C)noc2C)s1
InChIInChI=1S/C18H28N4O2S2/c1-4-5-6-7-8-9-10-17-20-21-18(26-17)19-16(23)12-25-11-15-13(2)22-24-14(15)3/h4-12H2,1-3H3,(H,19,21,23)
InChIKeyABUWOMABJBOJLX-UHFFFAOYSA-N
MW396.58 g/mol
LogP4.92
Rot. Bonds12

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(5-octyl-1,3,4-thiadiazol-2-yl)acetamide

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(5-octyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 43052396) has the molecular formula C18H28N4O2S2 and a molecular weight of 396.58 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(5-octyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(5-octyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID43052396
Molecular FormulaC18H28N4O2S2
Molecular Weight396.58 g/mol
Exact Mass396.17
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(5-octyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCCCCCCc1nnc(NC(=O)CSCc2c(C)noc2C)s1
InChIInChI=1S/C18H28N4O2S2/c1-4-5-6-7-8-9-10-17-20-21-18(26-17)19-16(23)12-25-11-15-13(2)22-24-14(15)3/h4-12H2,1-3H3,(H,19,21,23)
InChIKeyABUWOMABJBOJLX-UHFFFAOYSA-N
XLogP4.92
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.58
LogP ≤ 54.92
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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Related Compounds

N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 43020399
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 24818075
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-methyl-1,3-thiazol-2-yl)acetamide
CID 4788646
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-dodecylsulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 4597198
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-ethylacetamide
CID 60623814
N-(5-pentadecyl-1,3,4-thiadiazol-2-yl)acetamide
CID 5080643
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 34114329
3-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)propanamide
CID 137296557
N-tert-butyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 51139661

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(5-octyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(5-octyl-1,3,4-thiadiazol-2-yl)acetamide (CID 43052396) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(5-octyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(5-octyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(5-octyl-1,3,4-thiadiazol-2-yl)acetamide is CCCCCCCCc1nnc(NC(=O)CSCc2c(C)noc2C)s1.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(5-octyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is ABUWOMABJBOJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2S2/c1-4-5-6-7-8-9-10-17-20-21-18(26-17)19-16(23)12-25-11-15-13(2)22-24-14(15)3/h4-12H2,1-3H3,(H,19,21,23).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(5-octyl-1,3,4-thiadiazol-2-yl)acetamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(5-octyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 396.58 g/mol, XLogP of 4.92, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(5-octyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 43052396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).