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

C11H15NOS — CID 65404794

IUPAC2-(3-ethylcyclopentyl)-1,3-thiazole-5-carbaldehyde
SMILESCCC1CCC(c2ncc(C=O)s2)C1
InChIInChI=1S/C11H15NOS/c1-2-8-3-4-9(5-8)11-12-6-10(7-13)14-11/h6-9H,2-5H2,1H3
InChIKeyBBFLZUJVZRDCCW-UHFFFAOYSA-N
MW209.31 g/mol
LogP3.25
Rot. Bonds3

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

2-(3-ethylcyclopentyl)-1,3-thiazole-5-carbaldehyde (PubChem CID 65404794) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 2-(3-ethylcyclopentyl)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(3-ethylcyclopentyl)-1,3-thiazole-5-carbaldehyde
PubChem CID65404794
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name2-(3-ethylcyclopentyl)-1,3-thiazole-5-carbaldehyde
SMILESCCC1CCC(c2ncc(C=O)s2)C1
InChIInChI=1S/C11H15NOS/c1-2-8-3-4-9(5-8)11-12-6-10(7-13)14-11/h6-9H,2-5H2,1H3
InChIKeyBBFLZUJVZRDCCW-UHFFFAOYSA-N
XLogP3.25
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 53.25
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-ethylcyclopentyl)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-(3-ethylcyclopentyl)-1,3-thiazole-5-carbaldehyde (CID 65404794) is 2-(3-ethylcyclopentyl)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-(3-ethylcyclopentyl)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-(3-ethylcyclopentyl)-1,3-thiazole-5-carbaldehyde is CCC1CCC(c2ncc(C=O)s2)C1.
What is the InChIKey of 2-(3-ethylcyclopentyl)-1,3-thiazole-5-carbaldehyde?
The InChIKey is BBFLZUJVZRDCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-2-8-3-4-9(5-8)11-12-6-10(7-13)14-11/h6-9H,2-5H2,1H3.
What are the key properties of 2-(3-ethylcyclopentyl)-1,3-thiazole-5-carbaldehyde?
2-(3-ethylcyclopentyl)-1,3-thiazole-5-carbaldehyde has a molecular weight of 209.31 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylcyclopentyl)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 65404794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).