2-(dibutylamino)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide

C15H28N4OS — CID 3076724

IUPAC2-(dibutylamino)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCCN(CCCC)CC(=O)Nc1nnc(CCC)s1
InChIInChI=1S/C15H28N4OS/c1-4-7-10-19(11-8-5-2)12-13(20)16-15-18-17-14(21-15)9-6-3/h4-12H2,1-3H3,(H,16,18,20)
InChIKeyFZEMLGGKHPRIAX-UHFFFAOYSA-N
MW312.48 g/mol
LogP3.33
Rot. Bonds11

About 2-(dibutylamino)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide

2-(dibutylamino)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 3076724) has the molecular formula C15H28N4OS and a molecular weight of 312.48 g/mol. Its IUPAC name is 2-(dibutylamino)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(dibutylamino)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID3076724
Molecular FormulaC15H28N4OS
Molecular Weight312.48 g/mol
Exact Mass312.20
IUPAC Name2-(dibutylamino)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCCN(CCCC)CC(=O)Nc1nnc(CCC)s1
InChIInChI=1S/C15H28N4OS/c1-4-7-10-19(11-8-5-2)12-13(20)16-15-18-17-14(21-15)9-6-3/h4-12H2,1-3H3,(H,16,18,20)
InChIKeyFZEMLGGKHPRIAX-UHFFFAOYSA-N
XLogP3.33
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(dibutylamino)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(dibutylamino)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(dibutylamino)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide (CID 3076724) is 2-(dibutylamino)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(dibutylamino)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(dibutylamino)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide is CCCCN(CCCC)CC(=O)Nc1nnc(CCC)s1.
What is the InChIKey of 2-(dibutylamino)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is FZEMLGGKHPRIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4OS/c1-4-7-10-19(11-8-5-2)12-13(20)16-15-18-17-14(21-15)9-6-3/h4-12H2,1-3H3,(H,16,18,20).
What are the key properties of 2-(dibutylamino)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(dibutylamino)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 312.48 g/mol, XLogP of 3.33, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibutylamino)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 3076724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).