4-[5-(tert-butylamino)-6-(3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-cyclohexylpiperazine-1-carboxamide

C26H37N7OS — CID 50825621

IUPAC4-[5-(tert-butylamino)-6-(3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-cyclohexylpiperazine-1-carboxamide
SMILESCc1cccc(-c2nc3sc(N4CCN(C(=O)NC5CCCCC5)CC4)nn3c2NC(C)(C)C)c1
InChIInChI=1S/C26H37N7OS/c1-18-9-8-10-19(17-18)21-22(29-26(2,3)4)33-24(28-21)35-25(30-33)32-15-13-31(14-16-32)23(34)27-20-11-6-5-7-12-20/h8-10,17,20,29H,5-7,11-16H2,1-4H3,(H,27,34)
InChIKeyZGARIOCUEPSQOG-UHFFFAOYSA-N
MW495.70 g/mol
LogP5.14
Rot. Bonds4

About 4-[5-(tert-butylamino)-6-(3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-cyclohexylpiperazine-1-carboxamide

4-[5-(tert-butylamino)-6-(3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-cyclohexylpiperazine-1-carboxamide (PubChem CID 50825621) has the molecular formula C26H37N7OS and a molecular weight of 495.70 g/mol. Its IUPAC name is 4-[5-(tert-butylamino)-6-(3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-cyclohexylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[5-(tert-butylamino)-6-(3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-cyclohexylpiperazine-1-carboxamide
PubChem CID50825621
Molecular FormulaC26H37N7OS
Molecular Weight495.70 g/mol
Exact Mass495.28
IUPAC Name4-[5-(tert-butylamino)-6-(3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-cyclohexylpiperazine-1-carboxamide
SMILESCc1cccc(-c2nc3sc(N4CCN(C(=O)NC5CCCCC5)CC4)nn3c2NC(C)(C)C)c1
InChIInChI=1S/C26H37N7OS/c1-18-9-8-10-19(17-18)21-22(29-26(2,3)4)33-24(28-21)35-25(30-33)32-15-13-31(14-16-32)23(34)27-20-11-6-5-7-12-20/h8-10,17,20,29H,5-7,11-16H2,1-4H3,(H,27,34)
InChIKeyZGARIOCUEPSQOG-UHFFFAOYSA-N
XLogP5.14
TPSA77.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.70
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[5-(tert-butylamino)-6-(3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-cyclohexylpiperazine-1-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-tert-butyl-4-[5-(tert-butylamino)-6-(3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazine-1-carboxamide
CID 50825382
N-[(2S)-butan-2-yl]-4-[5-(tert-butylamino)-6-(3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazine-1-carboxamide
CID 95050355
4-[5-(tert-butylamino)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(3-methylphenyl)piperazine-1-carboxamide
CID 50825558
ethyl 2-[[4-[5-(tert-butylamino)-6-(3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazine-1-carbonyl]amino]acetate
CID 50825544
N-[(2S)-butan-2-yl]-4-[5-(cyclopentylamino)-6-(3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazine-1-carboxamide
CID 95050351
[4-[5-(tert-butylamino)-6-(3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 50825829
4-[5-(tert-butylamino)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-phenylpiperazine-1-carboxamide
CID 50825542
4-[5-(cyclopentylamino)-6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-methylpiperazine-1-carboxamide
CID 50825509
N-tert-butyl-2-(4-cyclohexylpiperazin-1-yl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-amine
CID 50825881
N-[(2R)-butan-2-yl]-4-[5-(tert-butylamino)-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazine-1-carboxamide
CID 95050342
1-[4-[5-(tert-butylamino)-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]propan-1-one
CID 50825689
1-[4-[5-(tert-butylamino)-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-2-cyclohexylethanone
CID 50825900

Frequently Asked Questions

What is the IUPAC name of 4-[5-(tert-butylamino)-6-(3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-cyclohexylpiperazine-1-carboxamide?
The IUPAC name of 4-[5-(tert-butylamino)-6-(3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-cyclohexylpiperazine-1-carboxamide (CID 50825621) is 4-[5-(tert-butylamino)-6-(3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-cyclohexylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[5-(tert-butylamino)-6-(3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-cyclohexylpiperazine-1-carboxamide?
The canonical SMILES for 4-[5-(tert-butylamino)-6-(3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-cyclohexylpiperazine-1-carboxamide is Cc1cccc(-c2nc3sc(N4CCN(C(=O)NC5CCCCC5)CC4)nn3c2NC(C)(C)C)c1.
What is the InChIKey of 4-[5-(tert-butylamino)-6-(3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-cyclohexylpiperazine-1-carboxamide?
The InChIKey is ZGARIOCUEPSQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N7OS/c1-18-9-8-10-19(17-18)21-22(29-26(2,3)4)33-24(28-21)35-25(30-33)32-15-13-31(14-16-32)23(34)27-20-11-6-5-7-12-20/h8-10,17,20,29H,5-7,11-16H2,1-4H3,(H,27,34).
What are the key properties of 4-[5-(tert-butylamino)-6-(3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-cyclohexylpiperazine-1-carboxamide?
4-[5-(tert-butylamino)-6-(3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-cyclohexylpiperazine-1-carboxamide has a molecular weight of 495.70 g/mol, XLogP of 5.14, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(tert-butylamino)-6-(3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-cyclohexylpiperazine-1-carboxamide is sourced from PubChem (CID 50825621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).