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

C13H19N3OS — CID 54999681

IUPAC6-[methyl(4-methylpentan-2-yl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCC(C)CC(C)N(C)c1nc2sccn2c1C=O
InChIInChI=1S/C13H19N3OS/c1-9(2)7-10(3)15(4)12-11(8-17)16-5-6-18-13(16)14-12/h5-6,8-10H,7H2,1-4H3
InChIKeyBEQYUYDDWGQNCY-UHFFFAOYSA-N
MW265.38 g/mol
LogP3.08
Rot. Bonds5

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

6-[methyl(4-methylpentan-2-yl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 54999681) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 6-[methyl(4-methylpentan-2-yl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name6-[methyl(4-methylpentan-2-yl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID54999681
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name6-[methyl(4-methylpentan-2-yl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCC(C)CC(C)N(C)c1nc2sccn2c1C=O
InChIInChI=1S/C13H19N3OS/c1-9(2)7-10(3)15(4)12-11(8-17)16-5-6-18-13(16)14-12/h5-6,8-10H,7H2,1-4H3
InChIKeyBEQYUYDDWGQNCY-UHFFFAOYSA-N
XLogP3.08
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[methyl(4-methylpentan-2-yl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 6-[methyl(4-methylpentan-2-yl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 54999681) is 6-[methyl(4-methylpentan-2-yl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 6-[methyl(4-methylpentan-2-yl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 6-[methyl(4-methylpentan-2-yl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is CC(C)CC(C)N(C)c1nc2sccn2c1C=O.
What is the InChIKey of 6-[methyl(4-methylpentan-2-yl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is BEQYUYDDWGQNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-9(2)7-10(3)15(4)12-11(8-17)16-5-6-18-13(16)14-12/h5-6,8-10H,7H2,1-4H3.
What are the key properties of 6-[methyl(4-methylpentan-2-yl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
6-[methyl(4-methylpentan-2-yl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 265.38 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl(4-methylpentan-2-yl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 54999681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).