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

C10H13NOS — CID 82400044

IUPAC3-cyclohexyl-1,2-thiazole-5-carbaldehyde
SMILESO=Cc1cc(C2CCCCC2)ns1
InChIInChI=1S/C10H13NOS/c12-7-9-6-10(11-13-9)8-4-2-1-3-5-8/h6-8H,1-5H2
InChIKeyLXTUYKUBJGNVQI-UHFFFAOYSA-N
MW195.29 g/mol
LogP3.00
Rot. Bonds2

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

3-cyclohexyl-1,2-thiazole-5-carbaldehyde (PubChem CID 82400044) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is 3-cyclohexyl-1,2-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name3-cyclohexyl-1,2-thiazole-5-carbaldehyde
PubChem CID82400044
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name3-cyclohexyl-1,2-thiazole-5-carbaldehyde
SMILESO=Cc1cc(C2CCCCC2)ns1
InChIInChI=1S/C10H13NOS/c12-7-9-6-10(11-13-9)8-4-2-1-3-5-8/h6-8H,1-5H2
InChIKeyLXTUYKUBJGNVQI-UHFFFAOYSA-N
XLogP3.00
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 53.00
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 3-cyclohexyl-1,2-thiazole-5-carbaldehyde?
The IUPAC name of 3-cyclohexyl-1,2-thiazole-5-carbaldehyde (CID 82400044) is 3-cyclohexyl-1,2-thiazole-5-carbaldehyde.
What is the SMILES notation for 3-cyclohexyl-1,2-thiazole-5-carbaldehyde?
The canonical SMILES for 3-cyclohexyl-1,2-thiazole-5-carbaldehyde is O=Cc1cc(C2CCCCC2)ns1.
What is the InChIKey of 3-cyclohexyl-1,2-thiazole-5-carbaldehyde?
The InChIKey is LXTUYKUBJGNVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c12-7-9-6-10(11-13-9)8-4-2-1-3-5-8/h6-8H,1-5H2.
What are the key properties of 3-cyclohexyl-1,2-thiazole-5-carbaldehyde?
3-cyclohexyl-1,2-thiazole-5-carbaldehyde has a molecular weight of 195.29 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1,2-thiazole-5-carbaldehyde is sourced from PubChem (CID 82400044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).