3-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide

C15H19N3OS — CID 3158290

IUPAC3-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCCCc1nnc(NC(=O)CC(C)c2ccccc2)s1
InChIInChI=1S/C15H19N3OS/c1-3-7-14-17-18-15(20-14)16-13(19)10-11(2)12-8-5-4-6-9-12/h4-6,8-9,11H,3,7,10H2,1-2H3,(H,16,18,19)
InChIKeyDBWDAXKDUKQWIF-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.62
Rot. Bonds6

About 3-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide

3-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide (PubChem CID 3158290) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 3-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide.

Molecular Properties

Compound Name3-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide
PubChem CID3158290
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name3-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCCCc1nnc(NC(=O)CC(C)c2ccccc2)s1
InChIInChI=1S/C15H19N3OS/c1-3-7-14-17-18-15(20-14)16-13(19)10-11(2)12-8-5-4-6-9-12/h4-6,8-9,11H,3,7,10H2,1-2H3,(H,16,18,19)
InChIKeyDBWDAXKDUKQWIF-UHFFFAOYSA-N
XLogP3.62
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide?
The IUPAC name of 3-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide (CID 3158290) is 3-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide.
What is the SMILES notation for 3-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide?
The canonical SMILES for 3-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide is CCCc1nnc(NC(=O)CC(C)c2ccccc2)s1.
What is the InChIKey of 3-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide?
The InChIKey is DBWDAXKDUKQWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-3-7-14-17-18-15(20-14)16-13(19)10-11(2)12-8-5-4-6-9-12/h4-6,8-9,11H,3,7,10H2,1-2H3,(H,16,18,19).
What are the key properties of 3-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide?
3-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide has a molecular weight of 289.40 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide is sourced from PubChem (CID 3158290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).