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

C17H23N3O2S — CID 2091132

IUPAC3-(2-methoxyphenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCC(CC)c1nnc(NC(=O)CCc2ccccc2OC)s1
InChIInChI=1S/C17H23N3O2S/c1-4-12(5-2)16-19-20-17(23-16)18-15(21)11-10-13-8-6-7-9-14(13)22-3/h6-9,12H,4-5,10-11H2,1-3H3,(H,18,20,21)
InChIKeyURWQGXLSMZQNSX-UHFFFAOYSA-N
MW333.46 g/mol
LogP4.02
Rot. Bonds8

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

3-(2-methoxyphenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 2091132) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID2091132
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name3-(2-methoxyphenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCC(CC)c1nnc(NC(=O)CCc2ccccc2OC)s1
InChIInChI=1S/C17H23N3O2S/c1-4-12(5-2)16-19-20-17(23-16)18-15(21)11-10-13-8-6-7-9-14(13)22-3/h6-9,12H,4-5,10-11H2,1-3H3,(H,18,20,21)
InChIKeyURWQGXLSMZQNSX-UHFFFAOYSA-N
XLogP4.02
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 3-(2-methoxyphenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)propanamide (CID 2091132) is 3-(2-methoxyphenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 3-(2-methoxyphenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)propanamide is CCC(CC)c1nnc(NC(=O)CCc2ccccc2OC)s1.
What is the InChIKey of 3-(2-methoxyphenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is URWQGXLSMZQNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-4-12(5-2)16-19-20-17(23-16)18-15(21)11-10-13-8-6-7-9-14(13)22-3/h6-9,12H,4-5,10-11H2,1-3H3,(H,18,20,21).
What are the key properties of 3-(2-methoxyphenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)propanamide?
3-(2-methoxyphenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 333.46 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 2091132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).