N-cyclohexyl-6-(4-ethylphenyl)-2-(4-ethylpiperazin-1-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine

C24H34N6S — CID 50825714

IUPACN-cyclohexyl-6-(4-ethylphenyl)-2-(4-ethylpiperazin-1-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine
SMILESCCc1ccc(-c2nc3sc(N4CCN(CC)CC4)nn3c2NC2CCCCC2)cc1
InChIInChI=1S/C24H34N6S/c1-3-18-10-12-19(13-11-18)21-22(25-20-8-6-5-7-9-20)30-23(26-21)31-24(27-30)29-16-14-28(4-2)15-17-29/h10-13,20,25H,3-9,14-17H2,1-2H3
InChIKeyYAPIAZAOAGLNNM-UHFFFAOYSA-N
MW438.65 g/mol
LogP4.91
Rot. Bonds6

About N-cyclohexyl-6-(4-ethylphenyl)-2-(4-ethylpiperazin-1-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine

N-cyclohexyl-6-(4-ethylphenyl)-2-(4-ethylpiperazin-1-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine (PubChem CID 50825714) has the molecular formula C24H34N6S and a molecular weight of 438.65 g/mol. Its IUPAC name is N-cyclohexyl-6-(4-ethylphenyl)-2-(4-ethylpiperazin-1-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine.

Molecular Properties

Compound NameN-cyclohexyl-6-(4-ethylphenyl)-2-(4-ethylpiperazin-1-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine
PubChem CID50825714
Molecular FormulaC24H34N6S
Molecular Weight438.65 g/mol
Exact Mass438.26
IUPAC NameN-cyclohexyl-6-(4-ethylphenyl)-2-(4-ethylpiperazin-1-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine
SMILESCCc1ccc(-c2nc3sc(N4CCN(CC)CC4)nn3c2NC2CCCCC2)cc1
InChIInChI=1S/C24H34N6S/c1-3-18-10-12-19(13-11-18)21-22(25-20-8-6-5-7-9-20)30-23(26-21)31-24(27-30)29-16-14-28(4-2)15-17-29/h10-13,20,25H,3-9,14-17H2,1-2H3
InChIKeyYAPIAZAOAGLNNM-UHFFFAOYSA-N
XLogP4.91
TPSA48.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.65
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-cyclohexyl-6-(4-ethylphenyl)-2-(4-ethylpiperazin-1-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine 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-cyclohexyl-6-(4-ethylphenyl)-2-(4-ethylpiperazin-1-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine?
The IUPAC name of N-cyclohexyl-6-(4-ethylphenyl)-2-(4-ethylpiperazin-1-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine (CID 50825714) is N-cyclohexyl-6-(4-ethylphenyl)-2-(4-ethylpiperazin-1-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine.
What is the SMILES notation for N-cyclohexyl-6-(4-ethylphenyl)-2-(4-ethylpiperazin-1-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine?
The canonical SMILES for N-cyclohexyl-6-(4-ethylphenyl)-2-(4-ethylpiperazin-1-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine is CCc1ccc(-c2nc3sc(N4CCN(CC)CC4)nn3c2NC2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-6-(4-ethylphenyl)-2-(4-ethylpiperazin-1-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine?
The InChIKey is YAPIAZAOAGLNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6S/c1-3-18-10-12-19(13-11-18)21-22(25-20-8-6-5-7-9-20)30-23(26-21)31-24(27-30)29-16-14-28(4-2)15-17-29/h10-13,20,25H,3-9,14-17H2,1-2H3.
What are the key properties of N-cyclohexyl-6-(4-ethylphenyl)-2-(4-ethylpiperazin-1-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine?
N-cyclohexyl-6-(4-ethylphenyl)-2-(4-ethylpiperazin-1-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine has a molecular weight of 438.65 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-(4-ethylphenyl)-2-(4-ethylpiperazin-1-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine is sourced from PubChem (CID 50825714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).