2-(3,4-dimethoxyphenyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide

C17H23N3O3S — CID 2208286

IUPAC2-(3,4-dimethoxyphenyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCCCc1nnc(NC(=O)Cc2ccc(OC)c(OC)c2)s1
InChIInChI=1S/C17H23N3O3S/c1-4-5-6-7-16-19-20-17(24-16)18-15(21)11-12-8-9-13(22-2)14(10-12)23-3/h8-10H,4-7,11H2,1-3H3,(H,18,20,21)
InChIKeyZPOICYJAZRBHEP-UHFFFAOYSA-N
MW349.46 g/mol
LogP3.47
Rot. Bonds9

About 2-(3,4-dimethoxyphenyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide

2-(3,4-dimethoxyphenyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 2208286) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID2208286
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name2-(3,4-dimethoxyphenyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCCCc1nnc(NC(=O)Cc2ccc(OC)c(OC)c2)s1
InChIInChI=1S/C17H23N3O3S/c1-4-5-6-7-16-19-20-17(24-16)18-15(21)11-12-8-9-13(22-2)14(10-12)23-3/h8-10H,4-7,11H2,1-3H3,(H,18,20,21)
InChIKeyZPOICYJAZRBHEP-UHFFFAOYSA-N
XLogP3.47
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[4-(5-acetamido-1,3,4-thiadiazol-2-yl)butyl]-1,3,4-thiadiazol-2-yl]-2-(3,4-dimethoxyphenyl)acetamide
CID 90165478
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dimethoxyphenyl)acetamide
CID 78804101
3,4-dimethoxy-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 46551224
2-(4-ethoxyphenyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide
CID 26209657
N-(5-propyl-1,3,4-thiadiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 9109738
2-(3,4-dimethoxyphenyl)-N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 17320259
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)acetamide
CID 18198073
2,4,5-trimethoxy-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
CID 8933648
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-naphthalen-2-ylacetamide
CID 26197141
2,5-dimethoxy-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
CID 51176076
2-[3-(2-methoxyphenyl)phenyl]-N-[5-[4-[5-[[2-[3-(2-methoxyphenyl)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 74982588
4-butoxy-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide
CID 31038115

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide (CID 2208286) is 2-(3,4-dimethoxyphenyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide is CCCCCc1nnc(NC(=O)Cc2ccc(OC)c(OC)c2)s1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is ZPOICYJAZRBHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-4-5-6-7-16-19-20-17(24-16)18-15(21)11-12-8-9-13(22-2)14(10-12)23-3/h8-10H,4-7,11H2,1-3H3,(H,18,20,21).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(3,4-dimethoxyphenyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 349.46 g/mol, XLogP of 3.47, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 2208286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).