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

C11H15NOS — CID 83820713

IUPAC5-(cyclohexylmethyl)-1,2-thiazole-3-carbaldehyde
SMILESO=Cc1cc(CC2CCCCC2)sn1
InChIInChI=1S/C11H15NOS/c13-8-10-7-11(14-12-10)6-9-4-2-1-3-5-9/h7-9H,1-6H2
InChIKeyUHPIYMXORBAIPL-UHFFFAOYSA-N
MW209.31 g/mol
LogP3.08
Rot. Bonds3

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

5-(cyclohexylmethyl)-1,2-thiazole-3-carbaldehyde (PubChem CID 83820713) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 5-(cyclohexylmethyl)-1,2-thiazole-3-carbaldehyde.

Molecular Properties

Compound Name5-(cyclohexylmethyl)-1,2-thiazole-3-carbaldehyde
PubChem CID83820713
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name5-(cyclohexylmethyl)-1,2-thiazole-3-carbaldehyde
SMILESO=Cc1cc(CC2CCCCC2)sn1
InChIInChI=1S/C11H15NOS/c13-8-10-7-11(14-12-10)6-9-4-2-1-3-5-9/h7-9H,1-6H2
InChIKeyUHPIYMXORBAIPL-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Cyclopropyl-1,2-thiazole-5-carbaldehyde
CID 82416851
2-Methyl-1-[5-(2-methylpropyl)-1,2-thiazol-3-yl]propan-1-one
CID 58357258
5-Ethylisothiazole-3-carbaldehyde
CID 83815151
5-Isopropyl-isothiazole-3-carbaldehyde
CID 83815466
2-Methyl-1-(3-methyl-1,2-thiazol-5-yl)propan-1-one
CID 131181403
2-(4-Aminocyclohexyl)-1-(5-ethyl-1,2-thiazol-3-yl)ethanone
CID 157552308
1-(5-Butyl-1,2-thiazol-3-yl)-3-(oxolan-3-yl)propan-1-one
CID 157946560
1-[3-(2,2-Dimethylpropyl)-1,2-thiazol-5-yl]-2,2-dimethylpropan-1-one
CID 158789951
2,2-Dimethyl-1-(5-methyl-1,2-thiazol-3-yl)propan-1-one
CID 164705767
3-Cyclohexyl-1,2-thiazole-5-carboxamide
CID 174867021
3-(Oxan-4-yl)-1,2-thiazole-5-carbaldehyde
CID 82398855
3-Cyclohexyl-1,2-thiazole-5-carbaldehyde
CID 82400044

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylmethyl)-1,2-thiazole-3-carbaldehyde?
The IUPAC name of 5-(cyclohexylmethyl)-1,2-thiazole-3-carbaldehyde (CID 83820713) is 5-(cyclohexylmethyl)-1,2-thiazole-3-carbaldehyde.
What is the SMILES notation for 5-(cyclohexylmethyl)-1,2-thiazole-3-carbaldehyde?
The canonical SMILES for 5-(cyclohexylmethyl)-1,2-thiazole-3-carbaldehyde is O=Cc1cc(CC2CCCCC2)sn1.
What is the InChIKey of 5-(cyclohexylmethyl)-1,2-thiazole-3-carbaldehyde?
The InChIKey is UHPIYMXORBAIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c13-8-10-7-11(14-12-10)6-9-4-2-1-3-5-9/h7-9H,1-6H2.
What are the key properties of 5-(cyclohexylmethyl)-1,2-thiazole-3-carbaldehyde?
5-(cyclohexylmethyl)-1,2-thiazole-3-carbaldehyde has a molecular weight of 209.31 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylmethyl)-1,2-thiazole-3-carbaldehyde is sourced from PubChem (CID 83820713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).