3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde

C15H12N2O3S — CID 39199065

IUPAC3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCc1sc2ncc(C=O)n2c1-c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H12N2O3S/c1-9-14(17-11(8-18)7-16-15(17)21-9)10-2-3-12-13(6-10)20-5-4-19-12/h2-3,6-8H,4-5H2,1H3
InChIKeyVJEVKVOUWZWIMW-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.95
Rot. Bonds2

About 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 39199065) has the molecular formula C15H12N2O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID39199065
Molecular FormulaC15H12N2O3S
Molecular Weight300.34 g/mol
Exact Mass300.06
IUPAC Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCc1sc2ncc(C=O)n2c1-c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H12N2O3S/c1-9-14(17-11(8-18)7-16-15(17)21-9)10-2-3-12-13(6-10)20-5-4-19-12/h2-3,6-8H,4-5H2,1H3
InChIKeyVJEVKVOUWZWIMW-UHFFFAOYSA-N
XLogP2.95
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methoxy-3-methylphenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39199074
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198328
3-(4-ethoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39199083
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035422
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-5-yl]ethanone
CID 55102198
3-(3-aminopropyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,3-thiazol-2-one
CID 92936520
2-(1,3-benzodioxol-5-yl)-1,3-thiazole-5-carbaldehyde
CID 61282299
ethyl 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-formyl-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 82036157
[3-(1,3-benzodioxol-5-yl)-2-methylimidazo[2,1-b][1,3]thiazol-6-yl]methanol
CID 82062099
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1H-pyrazole-4-carbaldehyde
CID 82118021
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dimethylimidazo[1,2-a]pyridine
CID 114933699
2-[2-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 39195162

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 39199065) is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is Cc1sc2ncc(C=O)n2c1-c1ccc2c(c1)OCCO2.
What is the InChIKey of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is VJEVKVOUWZWIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S/c1-9-14(17-11(8-18)7-16-15(17)21-9)10-2-3-12-13(6-10)20-5-4-19-12/h2-3,6-8H,4-5H2,1H3.
What are the key properties of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 300.34 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 39199065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).