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

C18H25N3O3S — CID 18191005

IUPAC3-(2,3-dimethoxyphenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCC(CC)c1nnc(NC(=O)CCc2cccc(OC)c2OC)s1
InChIInChI=1S/C18H25N3O3S/c1-5-12(6-2)17-20-21-18(25-17)19-15(22)11-10-13-8-7-9-14(23-3)16(13)24-4/h7-9,12H,5-6,10-11H2,1-4H3,(H,19,21,22)
InChIKeyLPSYHVLJQMQTKK-UHFFFAOYSA-N
MW363.48 g/mol
LogP4.03
Rot. Bonds9

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

3-(2,3-dimethoxyphenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 18191005) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is 3-(2,3-dimethoxyphenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(2,3-dimethoxyphenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID18191005
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC Name3-(2,3-dimethoxyphenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCC(CC)c1nnc(NC(=O)CCc2cccc(OC)c2OC)s1
InChIInChI=1S/C18H25N3O3S/c1-5-12(6-2)17-20-21-18(25-17)19-15(22)11-10-13-8-7-9-14(23-3)16(13)24-4/h7-9,12H,5-6,10-11H2,1-4H3,(H,19,21,22)
InChIKeyLPSYHVLJQMQTKK-UHFFFAOYSA-N
XLogP4.03
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2,3-dimethoxyphenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 18093778
2-(2,5-dimethoxyphenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 78804292
ethyl 2-[3-(2,3-dimethoxyphenyl)propanoylamino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 18275825
4-(4-methoxyphenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 19197187
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(2-methoxyphenyl)propanamide
CID 2641026
2-(3-fluorophenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 18076264
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-(5-phenylfuran-2-yl)propanamide
CID 16551275
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 1086879
N-[3-oxo-3-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)amino]propyl]benzamide
CID 17154580
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 18121682
4-methoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 1086863
3-(2,3-dimethoxyphenyl)-N-(3-methylsulfonylphenyl)propanamide
CID 9072555

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethoxyphenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 3-(2,3-dimethoxyphenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)propanamide (CID 18191005) is 3-(2,3-dimethoxyphenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 3-(2,3-dimethoxyphenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 3-(2,3-dimethoxyphenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)propanamide is CCC(CC)c1nnc(NC(=O)CCc2cccc(OC)c2OC)s1.
What is the InChIKey of 3-(2,3-dimethoxyphenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is LPSYHVLJQMQTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-5-12(6-2)17-20-21-18(25-17)19-15(22)11-10-13-8-7-9-14(23-3)16(13)24-4/h7-9,12H,5-6,10-11H2,1-4H3,(H,19,21,22).
What are the key properties of 3-(2,3-dimethoxyphenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)propanamide?
3-(2,3-dimethoxyphenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 363.48 g/mol, XLogP of 4.03, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethoxyphenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 18191005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).