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

C17H23N3O3S — CID 78804292

IUPAC2-(2,5-dimethoxyphenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCC(CC)c1nnc(NC(=O)Cc2cc(OC)ccc2OC)s1
InChIInChI=1S/C17H23N3O3S/c1-5-11(6-2)16-19-20-17(24-16)18-15(21)10-12-9-13(22-3)7-8-14(12)23-4/h7-9,11H,5-6,10H2,1-4H3,(H,18,20,21)
InChIKeyLRGIFCKBSMZZLI-UHFFFAOYSA-N
MW349.46 g/mol
LogP3.64
Rot. Bonds8

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

2-(2,5-dimethoxyphenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 78804292) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID78804292
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name2-(2,5-dimethoxyphenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCC(CC)c1nnc(NC(=O)Cc2cc(OC)ccc2OC)s1
InChIInChI=1S/C17H23N3O3S/c1-5-11(6-2)16-19-20-17(24-16)18-15(21)10-12-9-13(22-3)7-8-14(12)23-4/h7-9,11H,5-6,10H2,1-4H3,(H,18,20,21)
InChIKeyLRGIFCKBSMZZLI-UHFFFAOYSA-N
XLogP3.64
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dimethoxyphenyl)acetamide
CID 78804101
4-methoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 1086863
4-(4-methoxyphenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 19197187
2-(3-fluorophenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 18076264
3-(2,3-dimethoxyphenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 18191005
2-(4-methylphenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 19196426
2-(3-bromo-4-fluorophenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 52691876
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxy-5-methylphenyl)acetamide
CID 9192627
N-(5-hexan-3-yl-1,3,4-thiadiazol-2-yl)-2,4,6-trimethoxybenzamide
CID 70528120
N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 82176337
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 1086879
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 16551252

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide (CID 78804292) is 2-(2,5-dimethoxyphenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide is CCC(CC)c1nnc(NC(=O)Cc2cc(OC)ccc2OC)s1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is LRGIFCKBSMZZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-5-11(6-2)16-19-20-17(24-16)18-15(21)10-12-9-13(22-3)7-8-14(12)23-4/h7-9,11H,5-6,10H2,1-4H3,(H,18,20,21).
What are the key properties of 2-(2,5-dimethoxyphenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide?
2-(2,5-dimethoxyphenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 349.46 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 78804292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).