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

C15H15N3OS — CID 61411478

IUPAC6-[methyl-[(3-methylphenyl)methyl]amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCc1cccc(CN(C)c2nc3sccn3c2C=O)c1
InChIInChI=1S/C15H15N3OS/c1-11-4-3-5-12(8-11)9-17(2)14-13(10-19)18-6-7-20-15(18)16-14/h3-8,10H,9H2,1-2H3
InChIKeyJWZMRSAPEYQQQB-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.15
Rot. Bonds4

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

6-[methyl-[(3-methylphenyl)methyl]amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 61411478) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 6-[methyl-[(3-methylphenyl)methyl]amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name6-[methyl-[(3-methylphenyl)methyl]amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID61411478
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name6-[methyl-[(3-methylphenyl)methyl]amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCc1cccc(CN(C)c2nc3sccn3c2C=O)c1
InChIInChI=1S/C15H15N3OS/c1-11-4-3-5-12(8-11)9-17(2)14-13(10-19)18-6-7-20-15(18)16-14/h3-8,10H,9H2,1-2H3
InChIKeyJWZMRSAPEYQQQB-UHFFFAOYSA-N
XLogP3.15
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[methyl-[(2-methylphenyl)methyl]amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 16780524
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(2-methylbutan-2-yl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 63983441
2-[(3-fluorophenyl)methyl-methylamino]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 43477821
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
N-[(3-chlorophenyl)methyl]-N-methyl-5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 61416879
N-[(3-bromophenyl)methyl]-N-methyl-5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 61415968
6-[methyl-(2-methylcyclohexyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 55005275
(E)-3-[6-[methyl(propyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid
CID 43475804
(E)-3-[6-[[2-(dimethylamino)-2-oxoethyl]-methylamino]imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid
CID 43475821

Frequently Asked Questions

What is the IUPAC name of 6-[methyl-[(3-methylphenyl)methyl]amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 6-[methyl-[(3-methylphenyl)methyl]amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 61411478) is 6-[methyl-[(3-methylphenyl)methyl]amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 6-[methyl-[(3-methylphenyl)methyl]amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 6-[methyl-[(3-methylphenyl)methyl]amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is Cc1cccc(CN(C)c2nc3sccn3c2C=O)c1.
What is the InChIKey of 6-[methyl-[(3-methylphenyl)methyl]amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is JWZMRSAPEYQQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-11-4-3-5-12(8-11)9-17(2)14-13(10-19)18-6-7-20-15(18)16-14/h3-8,10H,9H2,1-2H3.
What are the key properties of 6-[methyl-[(3-methylphenyl)methyl]amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
6-[methyl-[(3-methylphenyl)methyl]amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 285.37 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl-[(3-methylphenyl)methyl]amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 61411478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).