3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)propanamide

C18H23N3O3S — CID 18121682

IUPAC3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCC(CC)c1nnc(NC(=O)CCc2ccc3c(c2)OCCO3)s1
InChIInChI=1S/C18H23N3O3S/c1-3-13(4-2)17-20-21-18(25-17)19-16(22)8-6-12-5-7-14-15(11-12)24-10-9-23-14/h5,7,11,13H,3-4,6,8-10H2,1-2H3,(H,19,21,22)
InChIKeyKZUYCMZTGSHJHO-UHFFFAOYSA-N
MW361.47 g/mol
LogP3.78
Rot. Bonds7

About 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)propanamide

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 18121682) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID18121682
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCC(CC)c1nnc(NC(=O)CCc2ccc3c(c2)OCCO3)s1
InChIInChI=1S/C18H23N3O3S/c1-3-13(4-2)17-20-21-18(25-17)19-16(22)8-6-12-5-7-14-15(11-12)24-10-9-23-14/h5,7,11,13H,3-4,6,8-10H2,1-2H3,(H,19,21,22)
InChIKeyKZUYCMZTGSHJHO-UHFFFAOYSA-N
XLogP3.78
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 24555597
N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
CID 56661448
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylpropanamide
CID 53288864
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-propan-2-ylpropanamide
CID 18121372
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 24555160
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methyl-2-pyridinyl)propanamide
CID 9453893
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6-methyl-2-pyridinyl)propanamide
CID 17455509
(3S)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7815342
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
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-iodophenyl)propanamide
CID 17488745
2-(3-bromo-4-fluorophenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 52691876

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)propanamide (CID 18121682) is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)propanamide is CCC(CC)c1nnc(NC(=O)CCc2ccc3c(c2)OCCO3)s1.
What is the InChIKey of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is KZUYCMZTGSHJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-3-13(4-2)17-20-21-18(25-17)19-16(22)8-6-12-5-7-14-15(11-12)24-10-9-23-14/h5,7,11,13H,3-4,6,8-10H2,1-2H3,(H,19,21,22).
What are the key properties of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)propanamide?
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 361.47 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 18121682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).