2-(3-ethylcyclohexyl)-1,3-thiazole-5-carbaldehyde

C12H17NOS — CID 65415619

IUPAC2-(3-ethylcyclohexyl)-1,3-thiazole-5-carbaldehyde
SMILESCCC1CCCC(c2ncc(C=O)s2)C1
InChIInChI=1S/C12H17NOS/c1-2-9-4-3-5-10(6-9)12-13-7-11(8-14)15-12/h7-10H,2-6H2,1H3
InChIKeyQMDRNHJOMDQOAU-UHFFFAOYSA-N
MW223.34 g/mol
LogP3.64
Rot. Bonds3

About 2-(3-ethylcyclohexyl)-1,3-thiazole-5-carbaldehyde

2-(3-ethylcyclohexyl)-1,3-thiazole-5-carbaldehyde (PubChem CID 65415619) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 2-(3-ethylcyclohexyl)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(3-ethylcyclohexyl)-1,3-thiazole-5-carbaldehyde
PubChem CID65415619
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name2-(3-ethylcyclohexyl)-1,3-thiazole-5-carbaldehyde
SMILESCCC1CCCC(c2ncc(C=O)s2)C1
InChIInChI=1S/C12H17NOS/c1-2-9-4-3-5-10(6-9)12-13-7-11(8-14)15-12/h7-10H,2-6H2,1H3
InChIKeyQMDRNHJOMDQOAU-UHFFFAOYSA-N
XLogP3.64
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 53.64
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-(3-ethylcyclohexyl)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-(3-ethylcyclohexyl)-1,3-thiazole-5-carbaldehyde (CID 65415619) is 2-(3-ethylcyclohexyl)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-(3-ethylcyclohexyl)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-(3-ethylcyclohexyl)-1,3-thiazole-5-carbaldehyde is CCC1CCCC(c2ncc(C=O)s2)C1.
What is the InChIKey of 2-(3-ethylcyclohexyl)-1,3-thiazole-5-carbaldehyde?
The InChIKey is QMDRNHJOMDQOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-2-9-4-3-5-10(6-9)12-13-7-11(8-14)15-12/h7-10H,2-6H2,1H3.
What are the key properties of 2-(3-ethylcyclohexyl)-1,3-thiazole-5-carbaldehyde?
2-(3-ethylcyclohexyl)-1,3-thiazole-5-carbaldehyde has a molecular weight of 223.34 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylcyclohexyl)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 65415619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).