6-[methyl(1,3-thiazol-4-ylmethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde

C11H10N4OS2 — CID 55013505

IUPAC6-[methyl(1,3-thiazol-4-ylmethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCN(Cc1cscn1)c1nc2sccn2c1C=O
InChIInChI=1S/C11H10N4OS2/c1-14(4-8-6-17-7-12-8)10-9(5-16)15-2-3-18-11(15)13-10/h2-3,5-7H,4H2,1H3
InChIKeyMQPIIZHBMLRUFV-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.30
Rot. Bonds4

About 6-[methyl(1,3-thiazol-4-ylmethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde

6-[methyl(1,3-thiazol-4-ylmethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 55013505) has the molecular formula C11H10N4OS2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 6-[methyl(1,3-thiazol-4-ylmethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name6-[methyl(1,3-thiazol-4-ylmethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID55013505
Molecular FormulaC11H10N4OS2
Molecular Weight278.36 g/mol
Exact Mass278.03
IUPAC Name6-[methyl(1,3-thiazol-4-ylmethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCN(Cc1cscn1)c1nc2sccn2c1C=O
InChIInChI=1S/C11H10N4OS2/c1-14(4-8-6-17-7-12-8)10-9(5-16)15-2-3-18-11(15)13-10/h2-3,5-7H,4H2,1H3
InChIKeyMQPIIZHBMLRUFV-UHFFFAOYSA-N
XLogP2.30
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-[methyl(1,3-thiazol-4-ylmethyl)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-[furan-3-ylmethyl(methyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 61422494
6-[methyl-[(2-methylphenyl)methyl]amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 16780524
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
6-[3-methoxypropyl(methyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 63009269
6-[methyl(4-methylpentan-2-yl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 54999681
6-[bis(2-methoxyethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 61418584
6-[methyl(thiolan-3-yl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 43475632
6-[methyl-(2-methylcyclohexyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 55005275
2-[(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)-(2-methylpropyl)amino]acetamide
CID 55003155
6-chloro-2-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carboxylic acid
CID 55184898
6-methyl-2-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carboxylic acid
CID 62701330

Frequently Asked Questions

What is the IUPAC name of 6-[methyl(1,3-thiazol-4-ylmethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 6-[methyl(1,3-thiazol-4-ylmethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 55013505) is 6-[methyl(1,3-thiazol-4-ylmethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 6-[methyl(1,3-thiazol-4-ylmethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 6-[methyl(1,3-thiazol-4-ylmethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is CN(Cc1cscn1)c1nc2sccn2c1C=O.
What is the InChIKey of 6-[methyl(1,3-thiazol-4-ylmethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is MQPIIZHBMLRUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4OS2/c1-14(4-8-6-17-7-12-8)10-9(5-16)15-2-3-18-11(15)13-10/h2-3,5-7H,4H2,1H3.
What are the key properties of 6-[methyl(1,3-thiazol-4-ylmethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
6-[methyl(1,3-thiazol-4-ylmethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 278.36 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl(1,3-thiazol-4-ylmethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 55013505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).