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

C20H23N3O2S — CID 16551275

IUPACN-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-(5-phenylfuran-2-yl)propanamide
SMILESCCC(CC)c1nnc(NC(=O)CCc2ccc(-c3ccccc3)o2)s1
InChIInChI=1S/C20H23N3O2S/c1-3-14(4-2)19-22-23-20(26-19)21-18(24)13-11-16-10-12-17(25-16)15-8-6-5-7-9-15/h5-10,12,14H,3-4,11,13H2,1-2H3,(H,21,23,24)
InChIKeyULOUJMNDMJHVLE-UHFFFAOYSA-N
MW369.49 g/mol
LogP5.27
Rot. Bonds8

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

N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-(5-phenylfuran-2-yl)propanamide (PubChem CID 16551275) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-(5-phenylfuran-2-yl)propanamide.

Molecular Properties

Compound NameN-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-(5-phenylfuran-2-yl)propanamide
PubChem CID16551275
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC NameN-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-(5-phenylfuran-2-yl)propanamide
SMILESCCC(CC)c1nnc(NC(=O)CCc2ccc(-c3ccccc3)o2)s1
InChIInChI=1S/C20H23N3O2S/c1-3-14(4-2)19-22-23-20(26-19)21-18(24)13-11-16-10-12-17(25-16)15-8-6-5-7-9-15/h5-10,12,14H,3-4,11,13H2,1-2H3,(H,21,23,24)
InChIKeyULOUJMNDMJHVLE-UHFFFAOYSA-N
XLogP5.27
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.49
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 38911649
N-[3-oxo-3-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)amino]propyl]benzamide
CID 17154580
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide
CID 17465652
N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide
CID 16648903
3-methyl-2-[3-(5-phenylfuran-2-yl)propanoylamino]pentanamide
CID 78773204
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 18121682
3-(2,3-dimethoxyphenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 18191005
N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide
CID 43836967
N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide
CID 43836971
N-(5-benzyl-1,3-thiazol-2-yl)-3-[5-(4-fluorophenyl)furan-2-yl]propanamide
CID 17015011
N-tert-butyl-3-(5-phenylfuran-2-yl)propanamide
CID 51149871
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-(5-phenylfuran-2-yl)propanamide?
The IUPAC name of N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-(5-phenylfuran-2-yl)propanamide (CID 16551275) is N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-(5-phenylfuran-2-yl)propanamide.
What is the SMILES notation for N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-(5-phenylfuran-2-yl)propanamide?
The canonical SMILES for N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-(5-phenylfuran-2-yl)propanamide is CCC(CC)c1nnc(NC(=O)CCc2ccc(-c3ccccc3)o2)s1.
What is the InChIKey of N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-(5-phenylfuran-2-yl)propanamide?
The InChIKey is ULOUJMNDMJHVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-3-14(4-2)19-22-23-20(26-19)21-18(24)13-11-16-10-12-17(25-16)15-8-6-5-7-9-15/h5-10,12,14H,3-4,11,13H2,1-2H3,(H,21,23,24).
What are the key properties of N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-(5-phenylfuran-2-yl)propanamide?
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-(5-phenylfuran-2-yl)propanamide has a molecular weight of 369.49 g/mol, XLogP of 5.27, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-(5-phenylfuran-2-yl)propanamide is sourced from PubChem (CID 16551275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).