6-(2-methoxy-5-methylphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carbaldehyde

C14H14N2O2S — CID 82367452

IUPAC6-(2-methoxy-5-methylphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCOc1ccc(C)cc1-c1nc2n(c1C=O)CCS2
InChIInChI=1S/C14H14N2O2S/c1-9-3-4-12(18-2)10(7-9)13-11(8-17)16-5-6-19-14(16)15-13/h3-4,7-8H,5-6H2,1-2H3
InChIKeyYHVZPGNUCKBKJZ-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.79
Rot. Bonds3

About 6-(2-methoxy-5-methylphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carbaldehyde

6-(2-methoxy-5-methylphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 82367452) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is 6-(2-methoxy-5-methylphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name6-(2-methoxy-5-methylphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID82367452
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC Name6-(2-methoxy-5-methylphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCOc1ccc(C)cc1-c1nc2n(c1C=O)CCS2
InChIInChI=1S/C14H14N2O2S/c1-9-3-4-12(18-2)10(7-9)13-11(8-17)16-5-6-19-14(16)15-13/h3-4,7-8H,5-6H2,1-2H3
InChIKeyYHVZPGNUCKBKJZ-UHFFFAOYSA-N
XLogP2.79
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.79
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-(2-methoxy-5-methylphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 6-(2-methoxy-5-methylphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 82367452) is 6-(2-methoxy-5-methylphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 6-(2-methoxy-5-methylphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 6-(2-methoxy-5-methylphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is COc1ccc(C)cc1-c1nc2n(c1C=O)CCS2.
What is the InChIKey of 6-(2-methoxy-5-methylphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is YHVZPGNUCKBKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-9-3-4-12(18-2)10(7-9)13-11(8-17)16-5-6-19-14(16)15-13/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 6-(2-methoxy-5-methylphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
6-(2-methoxy-5-methylphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 274.35 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxy-5-methylphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 82367452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).