N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-(2-methoxy-5-methylphenyl)butanediamide

C20H26N4O3S — CID 1400999

IUPACN'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-(2-methoxy-5-methylphenyl)butanediamide
SMILESCOc1ccc(C)cc1NC(=O)CCC(=O)Nc1nnc(C2CCCCC2)s1
InChIInChI=1S/C20H26N4O3S/c1-13-8-9-16(27-2)15(12-13)21-17(25)10-11-18(26)22-20-24-23-19(28-20)14-6-4-3-5-7-14/h8-9,12,14H,3-7,10-11H2,1-2H3,(H,21,25)(H,22,24,26)
InChIKeyZASZIRAXEYQCHO-UHFFFAOYSA-N
MW402.52 g/mol
LogP4.26
Rot. Bonds7

About N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-(2-methoxy-5-methylphenyl)butanediamide

N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-(2-methoxy-5-methylphenyl)butanediamide (PubChem CID 1400999) has the molecular formula C20H26N4O3S and a molecular weight of 402.52 g/mol. Its IUPAC name is N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-(2-methoxy-5-methylphenyl)butanediamide.

Molecular Properties

Compound NameN'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-(2-methoxy-5-methylphenyl)butanediamide
PubChem CID1400999
Molecular FormulaC20H26N4O3S
Molecular Weight402.52 g/mol
Exact Mass402.17
IUPAC NameN'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-(2-methoxy-5-methylphenyl)butanediamide
SMILESCOc1ccc(C)cc1NC(=O)CCC(=O)Nc1nnc(C2CCCCC2)s1
InChIInChI=1S/C20H26N4O3S/c1-13-8-9-16(27-2)15(12-13)21-17(25)10-11-18(26)22-20-24-23-19(28-20)14-6-4-3-5-7-14/h8-9,12,14H,3-7,10-11H2,1-2H3,(H,21,25)(H,22,24,26)
InChIKeyZASZIRAXEYQCHO-UHFFFAOYSA-N
XLogP4.26
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-(2-methoxy-5-methylphenyl)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'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-(2-methoxy-5-methylphenyl)butanediamide?
The IUPAC name of N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-(2-methoxy-5-methylphenyl)butanediamide (CID 1400999) is N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-(2-methoxy-5-methylphenyl)butanediamide.
What is the SMILES notation for N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-(2-methoxy-5-methylphenyl)butanediamide?
The canonical SMILES for N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-(2-methoxy-5-methylphenyl)butanediamide is COc1ccc(C)cc1NC(=O)CCC(=O)Nc1nnc(C2CCCCC2)s1.
What is the InChIKey of N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-(2-methoxy-5-methylphenyl)butanediamide?
The InChIKey is ZASZIRAXEYQCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3S/c1-13-8-9-16(27-2)15(12-13)21-17(25)10-11-18(26)22-20-24-23-19(28-20)14-6-4-3-5-7-14/h8-9,12,14H,3-7,10-11H2,1-2H3,(H,21,25)(H,22,24,26).
What are the key properties of N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-(2-methoxy-5-methylphenyl)butanediamide?
N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-(2-methoxy-5-methylphenyl)butanediamide has a molecular weight of 402.52 g/mol, XLogP of 4.26, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-(2-methoxy-5-methylphenyl)butanediamide is sourced from PubChem (CID 1400999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).