2-(4-ethylcyclohexyl)-1,3-thiazole-4-carbaldehyde

C12H17NOS — CID 65393287

IUPAC2-(4-ethylcyclohexyl)-1,3-thiazole-4-carbaldehyde
SMILESCCC1CCC(c2nc(C=O)cs2)CC1
InChIInChI=1S/C12H17NOS/c1-2-9-3-5-10(6-4-9)12-13-11(7-14)8-15-12/h7-10H,2-6H2,1H3
InChIKeyLGERNZXFYGHAAM-UHFFFAOYSA-N
MW223.34 g/mol
LogP3.64
Rot. Bonds3

About 2-(4-ethylcyclohexyl)-1,3-thiazole-4-carbaldehyde

2-(4-ethylcyclohexyl)-1,3-thiazole-4-carbaldehyde (PubChem CID 65393287) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 2-(4-ethylcyclohexyl)-1,3-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name2-(4-ethylcyclohexyl)-1,3-thiazole-4-carbaldehyde
PubChem CID65393287
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name2-(4-ethylcyclohexyl)-1,3-thiazole-4-carbaldehyde
SMILESCCC1CCC(c2nc(C=O)cs2)CC1
InChIInChI=1S/C12H17NOS/c1-2-9-3-5-10(6-4-9)12-13-11(7-14)8-15-12/h7-10H,2-6H2,1H3
InChIKeyLGERNZXFYGHAAM-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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Related Compounds

2-(4-propan-2-ylcyclohexyl)-1,3-thiazole-4-carbaldehyde
CID 65424819
2-[2-(4-ethylcyclohexyl)-1,3-thiazol-4-yl]acetonitrile
CID 65390540
2-(2-methylcyclopropyl)-1,3-thiazole-4-carbaldehyde
CID 65420806
methyl 4-[4-(4-formyl-1,3-thiazol-2-yl)piperidin-1-yl]-4-oxobutanoate
CID 142983150
4-(2-bromophenyl)-2-(4-ethylcyclohexyl)-1,3-thiazole
CID 79831597
1-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]ethanone
CID 65404993
2-(5-methyloxolan-2-yl)-1,3-thiazole-4-carbaldehyde
CID 82839512
2-(4-propylcyclohexyl)-1,3-thiazol-4-ol
CID 130501522
2-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]acetic acid
CID 65409041
2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-thiazole-4-carbaldehyde
CID 115088355
2-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]ethanamine
CID 65403899
2-[(2-cyclopropyl-1,3-thiazol-4-yl)methylidene]-5,5-dimethyl-3-oxohexanenitrile
CID 47497260

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylcyclohexyl)-1,3-thiazole-4-carbaldehyde?
The IUPAC name of 2-(4-ethylcyclohexyl)-1,3-thiazole-4-carbaldehyde (CID 65393287) is 2-(4-ethylcyclohexyl)-1,3-thiazole-4-carbaldehyde.
What is the SMILES notation for 2-(4-ethylcyclohexyl)-1,3-thiazole-4-carbaldehyde?
The canonical SMILES for 2-(4-ethylcyclohexyl)-1,3-thiazole-4-carbaldehyde is CCC1CCC(c2nc(C=O)cs2)CC1.
What is the InChIKey of 2-(4-ethylcyclohexyl)-1,3-thiazole-4-carbaldehyde?
The InChIKey is LGERNZXFYGHAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-2-9-3-5-10(6-4-9)12-13-11(7-14)8-15-12/h7-10H,2-6H2,1H3.
What are the key properties of 2-(4-ethylcyclohexyl)-1,3-thiazole-4-carbaldehyde?
2-(4-ethylcyclohexyl)-1,3-thiazole-4-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-(4-ethylcyclohexyl)-1,3-thiazole-4-carbaldehyde is sourced from PubChem (CID 65393287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).