6-(3-methylcyclohexyl)oxyimidazo[2,1-b][1,3]thiazole-5-carbaldehyde

C13H16N2O2S — CID 16779941

IUPAC6-(3-methylcyclohexyl)oxyimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCC1CCCC(Oc2nc3sccn3c2C=O)C1
InChIInChI=1S/C13H16N2O2S/c1-9-3-2-4-10(7-9)17-12-11(8-16)15-5-6-18-13(15)14-12/h5-6,8-10H,2-4,7H2,1H3
InChIKeyHWZPCNWDYMBTCN-UHFFFAOYSA-N
MW264.35 g/mol
LogP3.17
Rot. Bonds3

About 6-(3-methylcyclohexyl)oxyimidazo[2,1-b][1,3]thiazole-5-carbaldehyde

6-(3-methylcyclohexyl)oxyimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 16779941) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 6-(3-methylcyclohexyl)oxyimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name6-(3-methylcyclohexyl)oxyimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID16779941
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name6-(3-methylcyclohexyl)oxyimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCC1CCCC(Oc2nc3sccn3c2C=O)C1
InChIInChI=1S/C13H16N2O2S/c1-9-3-2-4-10(7-9)17-12-11(8-16)15-5-6-18-13(15)14-12/h5-6,8-10H,2-4,7H2,1H3
InChIKeyHWZPCNWDYMBTCN-UHFFFAOYSA-N
XLogP3.17
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[6-(4-methylcyclohexyl)oxyimidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid
CID 57374437
6-(3,5-dimethoxyphenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 43589938
6-pentoxyimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 112728119
6-(2-methylazetidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 165460819
6-(1-methylpyrazol-4-yl)oxyimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 116792967
6-(2-ethoxyethoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 16780522
6-[methyl-(2-methylcyclohexyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 55005275
6-(2-iodophenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 43479767
6-[4-(methoxymethyl)piperidin-1-yl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 63973868
6-(1-phenylethoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 16780661
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 30063187
6-(4-bromo-2,5-dichlorophenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 107658896

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylcyclohexyl)oxyimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 6-(3-methylcyclohexyl)oxyimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 16779941) is 6-(3-methylcyclohexyl)oxyimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 6-(3-methylcyclohexyl)oxyimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 6-(3-methylcyclohexyl)oxyimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is CC1CCCC(Oc2nc3sccn3c2C=O)C1.
What is the InChIKey of 6-(3-methylcyclohexyl)oxyimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is HWZPCNWDYMBTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-9-3-2-4-10(7-9)17-12-11(8-16)15-5-6-18-13(15)14-12/h5-6,8-10H,2-4,7H2,1H3.
What are the key properties of 6-(3-methylcyclohexyl)oxyimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
6-(3-methylcyclohexyl)oxyimidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 264.35 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylcyclohexyl)oxyimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 16779941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).