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

C16H21N3OS — CID 975548

IUPACN-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide
SMILESCCC(CC)c1nnc(NC(=O)CCc2ccccc2)s1
InChIInChI=1S/C16H21N3OS/c1-3-13(4-2)15-18-19-16(21-15)17-14(20)11-10-12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3,(H,17,19,20)
InChIKeyZPLREMFNHCCJNA-UHFFFAOYSA-N
MW303.43 g/mol
LogP4.01
Rot. Bonds7

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

N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide (PubChem CID 975548) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide
PubChem CID975548
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC NameN-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide
SMILESCCC(CC)c1nnc(NC(=O)CCc2ccccc2)s1
InChIInChI=1S/C16H21N3OS/c1-3-13(4-2)15-18-19-16(21-15)17-14(20)11-10-12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3,(H,17,19,20)
InChIKeyZPLREMFNHCCJNA-UHFFFAOYSA-N
XLogP4.01
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-phenylpropanamide?
The IUPAC name of N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide (CID 975548) is N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide.
What is the SMILES notation for N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide?
The canonical SMILES for N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide is CCC(CC)c1nnc(NC(=O)CCc2ccccc2)s1.
What is the InChIKey of N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide?
The InChIKey is ZPLREMFNHCCJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-3-13(4-2)15-18-19-16(21-15)17-14(20)11-10-12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3,(H,17,19,20).
What are the key properties of N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide?
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide has a molecular weight of 303.43 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide is sourced from PubChem (CID 975548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).