2-(4-propan-2-ylcyclohexyl)-1,3-thiazole-4-carbaldehyde

C13H19NOS — CID 65424819

IUPAC2-(4-propan-2-ylcyclohexyl)-1,3-thiazole-4-carbaldehyde
SMILESCC(C)C1CCC(c2nc(C=O)cs2)CC1
InChIInChI=1S/C13H19NOS/c1-9(2)10-3-5-11(6-4-10)13-14-12(7-15)8-16-13/h7-11H,3-6H2,1-2H3
InChIKeySPQCUHDBAFHRNY-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.89
Rot. Bonds3

About 2-(4-propan-2-ylcyclohexyl)-1,3-thiazole-4-carbaldehyde

2-(4-propan-2-ylcyclohexyl)-1,3-thiazole-4-carbaldehyde (PubChem CID 65424819) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 2-(4-propan-2-ylcyclohexyl)-1,3-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name2-(4-propan-2-ylcyclohexyl)-1,3-thiazole-4-carbaldehyde
PubChem CID65424819
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name2-(4-propan-2-ylcyclohexyl)-1,3-thiazole-4-carbaldehyde
SMILESCC(C)C1CCC(c2nc(C=O)cs2)CC1
InChIInChI=1S/C13H19NOS/c1-9(2)10-3-5-11(6-4-10)13-14-12(7-15)8-16-13/h7-11H,3-6H2,1-2H3
InChIKeySPQCUHDBAFHRNY-UHFFFAOYSA-N
XLogP3.89
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylcyclohexyl)-1,3-thiazole-4-carbaldehyde?
The IUPAC name of 2-(4-propan-2-ylcyclohexyl)-1,3-thiazole-4-carbaldehyde (CID 65424819) is 2-(4-propan-2-ylcyclohexyl)-1,3-thiazole-4-carbaldehyde.
What is the SMILES notation for 2-(4-propan-2-ylcyclohexyl)-1,3-thiazole-4-carbaldehyde?
The canonical SMILES for 2-(4-propan-2-ylcyclohexyl)-1,3-thiazole-4-carbaldehyde is CC(C)C1CCC(c2nc(C=O)cs2)CC1.
What is the InChIKey of 2-(4-propan-2-ylcyclohexyl)-1,3-thiazole-4-carbaldehyde?
The InChIKey is SPQCUHDBAFHRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-9(2)10-3-5-11(6-4-10)13-14-12(7-15)8-16-13/h7-11H,3-6H2,1-2H3.
What are the key properties of 2-(4-propan-2-ylcyclohexyl)-1,3-thiazole-4-carbaldehyde?
2-(4-propan-2-ylcyclohexyl)-1,3-thiazole-4-carbaldehyde has a molecular weight of 237.37 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylcyclohexyl)-1,3-thiazole-4-carbaldehyde is sourced from PubChem (CID 65424819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).