5-cyclopentyl-1,2-thiazole-3-carbaldehyde

C9H11NOS — CID 83817072

IUPAC5-cyclopentyl-1,2-thiazole-3-carbaldehyde
SMILESO=Cc1cc(C2CCCC2)sn1
InChIInChI=1S/C9H11NOS/c11-6-8-5-9(12-10-8)7-3-1-2-4-7/h5-7H,1-4H2
InChIKeyMJRBCWJCDSJELJ-UHFFFAOYSA-N
MW181.26 g/mol
LogP2.61
Rot. Bonds2

About 5-cyclopentyl-1,2-thiazole-3-carbaldehyde

5-cyclopentyl-1,2-thiazole-3-carbaldehyde (PubChem CID 83817072) has the molecular formula C9H11NOS and a molecular weight of 181.26 g/mol. Its IUPAC name is 5-cyclopentyl-1,2-thiazole-3-carbaldehyde.

Molecular Properties

Compound Name5-cyclopentyl-1,2-thiazole-3-carbaldehyde
PubChem CID83817072
Molecular FormulaC9H11NOS
Molecular Weight181.26 g/mol
Exact Mass181.06
IUPAC Name5-cyclopentyl-1,2-thiazole-3-carbaldehyde
SMILESO=Cc1cc(C2CCCC2)sn1
InChIInChI=1S/C9H11NOS/c11-6-8-5-9(12-10-8)7-3-1-2-4-7/h5-7H,1-4H2
InChIKeyMJRBCWJCDSJELJ-UHFFFAOYSA-N
XLogP2.61
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 52.61
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 5-cyclopentyl-1,2-thiazole-3-carbaldehyde?
The IUPAC name of 5-cyclopentyl-1,2-thiazole-3-carbaldehyde (CID 83817072) is 5-cyclopentyl-1,2-thiazole-3-carbaldehyde.
What is the SMILES notation for 5-cyclopentyl-1,2-thiazole-3-carbaldehyde?
The canonical SMILES for 5-cyclopentyl-1,2-thiazole-3-carbaldehyde is O=Cc1cc(C2CCCC2)sn1.
What is the InChIKey of 5-cyclopentyl-1,2-thiazole-3-carbaldehyde?
The InChIKey is MJRBCWJCDSJELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NOS/c11-6-8-5-9(12-10-8)7-3-1-2-4-7/h5-7H,1-4H2.
What are the key properties of 5-cyclopentyl-1,2-thiazole-3-carbaldehyde?
5-cyclopentyl-1,2-thiazole-3-carbaldehyde has a molecular weight of 181.26 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-1,2-thiazole-3-carbaldehyde is sourced from PubChem (CID 83817072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).