6-[methyl-(2-methylcyclohexyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde

C14H19N3OS — CID 55005275

IUPAC6-[methyl-(2-methylcyclohexyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCC1CCCCC1N(C)c1nc2sccn2c1C=O
InChIInChI=1S/C14H19N3OS/c1-10-5-3-4-6-11(10)16(2)13-12(9-18)17-7-8-19-14(17)15-13/h7-11H,3-6H2,1-2H3
InChIKeyQYDQMKZHDZAVFO-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.22
Rot. Bonds3

About 6-[methyl-(2-methylcyclohexyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde

6-[methyl-(2-methylcyclohexyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 55005275) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 6-[methyl-(2-methylcyclohexyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name6-[methyl-(2-methylcyclohexyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID55005275
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name6-[methyl-(2-methylcyclohexyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCC1CCCCC1N(C)c1nc2sccn2c1C=O
InChIInChI=1S/C14H19N3OS/c1-10-5-3-4-6-11(10)16(2)13-12(9-18)17-7-8-19-14(17)15-13/h7-11H,3-6H2,1-2H3
InChIKeyQYDQMKZHDZAVFO-UHFFFAOYSA-N
XLogP3.22
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 6-[methyl-(2-methylcyclohexyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde 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

6-[methyl(thiolan-3-yl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 43475632
6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 82750522
6-(2-methylazetidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 165460819
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 30063187
6-[methyl(2-methylbutan-2-yl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 63983441
6-[methyl(4-methylpentan-2-yl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 54999681
6-[3-methoxypropyl(methyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 63009269
N,N-diethyl-2-[(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)-methylamino]acetamide
CID 61451158
6-[methyl-[(3-methylphenyl)methyl]amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 61411478
2-[cyanomethyl-(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)amino]acetonitrile
CID 43475589
6-[bis(2-methoxyethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 61418584
6-(8-azaspiro[4.5]decan-8-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 63158274

Frequently Asked Questions

What is the IUPAC name of 6-[methyl-(2-methylcyclohexyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 6-[methyl-(2-methylcyclohexyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 55005275) is 6-[methyl-(2-methylcyclohexyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 6-[methyl-(2-methylcyclohexyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 6-[methyl-(2-methylcyclohexyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is CC1CCCCC1N(C)c1nc2sccn2c1C=O.
What is the InChIKey of 6-[methyl-(2-methylcyclohexyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is QYDQMKZHDZAVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-10-5-3-4-6-11(10)16(2)13-12(9-18)17-7-8-19-14(17)15-13/h7-11H,3-6H2,1-2H3.
What are the key properties of 6-[methyl-(2-methylcyclohexyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
6-[methyl-(2-methylcyclohexyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 277.39 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl-(2-methylcyclohexyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 55005275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).