6-butyl-2-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde

C13H18N2OS — CID 165493353

IUPAC6-butyl-2-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCCCCc1nc2sc(C(C)C)cn2c1C=O
InChIInChI=1S/C13H18N2OS/c1-4-5-6-10-11(8-16)15-7-12(9(2)3)17-13(15)14-10/h7-9H,4-6H2,1-3H3
InChIKeyIAVHRJWZBAPUCC-UHFFFAOYSA-N
MW250.37 g/mol
LogP3.67
Rot. Bonds5

About 6-butyl-2-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde

6-butyl-2-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 165493353) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 6-butyl-2-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name6-butyl-2-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID165493353
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name6-butyl-2-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCCCCc1nc2sc(C(C)C)cn2c1C=O
InChIInChI=1S/C13H18N2OS/c1-4-5-6-10-11(8-16)15-7-12(9(2)3)17-13(15)14-10/h7-9H,4-6H2,1-3H3
InChIKeyIAVHRJWZBAPUCC-UHFFFAOYSA-N
XLogP3.67
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-butyl-2-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 6-butyl-2-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 165493353) is 6-butyl-2-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 6-butyl-2-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 6-butyl-2-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is CCCCc1nc2sc(C(C)C)cn2c1C=O.
What is the InChIKey of 6-butyl-2-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is IAVHRJWZBAPUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-4-5-6-10-11(8-16)15-7-12(9(2)3)17-13(15)14-10/h7-9H,4-6H2,1-3H3.
What are the key properties of 6-butyl-2-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
6-butyl-2-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 250.37 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-2-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 165493353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).