N-(2,4-dimethoxyphenyl)-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide

C16H20N4O4S — CID 1390695

IUPACN-(2,4-dimethoxyphenyl)-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide
SMILESCCc1nnc(NC(=O)CCC(=O)Nc2ccc(OC)cc2OC)s1
InChIInChI=1S/C16H20N4O4S/c1-4-15-19-20-16(25-15)18-14(22)8-7-13(21)17-11-6-5-10(23-2)9-12(11)24-3/h5-6,9H,4,7-8H2,1-3H3,(H,17,21)(H,18,20,22)
InChIKeyXVPLHUBUHPRVLX-UHFFFAOYSA-N
MW364.43 g/mol
LogP2.48
Rot. Bonds8

About N-(2,4-dimethoxyphenyl)-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide

N-(2,4-dimethoxyphenyl)-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide (PubChem CID 1390695) has the molecular formula C16H20N4O4S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide
PubChem CID1390695
Molecular FormulaC16H20N4O4S
Molecular Weight364.43 g/mol
Exact Mass364.12
IUPAC NameN-(2,4-dimethoxyphenyl)-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide
SMILESCCc1nnc(NC(=O)CCC(=O)Nc2ccc(OC)cc2OC)s1
InChIInChI=1S/C16H20N4O4S/c1-4-15-19-20-16(25-15)18-14(22)8-7-13(21)17-11-6-5-10(23-2)9-12(11)24-3/h5-6,9H,4,7-8H2,1-3H3,(H,17,21)(H,18,20,22)
InChIKeyXVPLHUBUHPRVLX-UHFFFAOYSA-N
XLogP2.48
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(2,4-dimethoxyphenyl)-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide 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 N-(2,4-dimethoxyphenyl)-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide (CID 1390695) is N-(2,4-dimethoxyphenyl)-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide is CCc1nnc(NC(=O)CCC(=O)Nc2ccc(OC)cc2OC)s1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide?
The InChIKey is XVPLHUBUHPRVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4S/c1-4-15-19-20-16(25-15)18-14(22)8-7-13(21)17-11-6-5-10(23-2)9-12(11)24-3/h5-6,9H,4,7-8H2,1-3H3,(H,17,21)(H,18,20,22).
What are the key properties of N-(2,4-dimethoxyphenyl)-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide?
N-(2,4-dimethoxyphenyl)-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide has a molecular weight of 364.43 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide is sourced from PubChem (CID 1390695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).