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

C17H23N3O2S — CID 3936393

IUPAC2-(3,5-dimethylphenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCC(CC)c1nnc(NC(=O)COc2cc(C)cc(C)c2)s1
InChIInChI=1S/C17H23N3O2S/c1-5-13(6-2)16-19-20-17(23-16)18-15(21)10-22-14-8-11(3)7-12(4)9-14/h7-9,13H,5-6,10H2,1-4H3,(H,18,20,21)
InChIKeyGMNJNKFIUAOSBY-UHFFFAOYSA-N
MW333.46 g/mol
LogP4.08
Rot. Bonds7

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

2-(3,5-dimethylphenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 3936393) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID3936393
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name2-(3,5-dimethylphenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCC(CC)c1nnc(NC(=O)COc2cc(C)cc(C)c2)s1
InChIInChI=1S/C17H23N3O2S/c1-5-13(6-2)16-19-20-17(23-16)18-15(21)10-22-14-8-11(3)7-12(4)9-14/h7-9,13H,5-6,10H2,1-4H3,(H,18,20,21)
InChIKeyGMNJNKFIUAOSBY-UHFFFAOYSA-N
XLogP4.08
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylphenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 19196426
2-(3-fluorophenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 2675897
2-(3-chlorophenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 2241620
2-(2-tert-butyl-4-methylphenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 19196681
2-(3-methylphenoxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 9247176
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide
CID 19196914
2-[4-(4-methylphenyl)phenoxy]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 19170983
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 1086879
2-(2-bromo-4-phenylphenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 19196783
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(4-propoxyphenoxy)acetamide
CID 32624003
4-(4-methoxyphenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 19197187
2-(3,5-dimethylphenoxy)-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide
CID 17014491

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide (CID 3936393) is 2-(3,5-dimethylphenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide is CCC(CC)c1nnc(NC(=O)COc2cc(C)cc(C)c2)s1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is GMNJNKFIUAOSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-5-13(6-2)16-19-20-17(23-16)18-15(21)10-22-14-8-11(3)7-12(4)9-14/h7-9,13H,5-6,10H2,1-4H3,(H,18,20,21).
What are the key properties of 2-(3,5-dimethylphenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide?
2-(3,5-dimethylphenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 333.46 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 3936393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).