2-(2-ethylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde

C11H16N2OS — CID 62757973

IUPAC2-(2-ethylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde
SMILESCCC1CCCCN1c1ncc(C=O)s1
InChIInChI=1S/C11H16N2OS/c1-2-9-5-3-4-6-13(9)11-12-7-10(8-14)15-11/h7-9H,2-6H2,1H3
InChIKeyWTCWXNBFHMGTFC-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.72
Rot. Bonds3

About 2-(2-ethylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde

2-(2-ethylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde (PubChem CID 62757973) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 2-(2-ethylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(2-ethylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde
PubChem CID62757973
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name2-(2-ethylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde
SMILESCCC1CCCCN1c1ncc(C=O)s1
InChIInChI=1S/C11H16N2OS/c1-2-9-5-3-4-6-13(9)11-12-7-10(8-14)15-11/h7-9H,2-6H2,1H3
InChIKeyWTCWXNBFHMGTFC-UHFFFAOYSA-N
XLogP2.72
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde
CID 62757598
2-(2-methylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde
CID 62757246
[2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]methanamine
CID 104692480
N-[[2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 104692497
1-[2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]ethanol
CID 104692502
2-(2-ethylazepan-1-yl)-4-propan-2-yl-1,3-thiazole-5-carbaldehyde
CID 104692508
4-ethyl-2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde
CID 62766614
2-(2-ethylpyrrolidin-1-yl)-4-phenyl-1,3-thiazole-5-carbaldehyde
CID 62765917
[1-(5-amino-1,3-thiazol-2-yl)piperidin-2-yl]methanol
CID 102767808
[2-(2-ethylazepan-1-yl)pyrimidin-5-yl]methanamine
CID 104690773
[2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249279
2-(4,4-dimethylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde
CID 62932559

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-(2-ethylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde (CID 62757973) is 2-(2-ethylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-(2-ethylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-(2-ethylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde is CCC1CCCCN1c1ncc(C=O)s1.
What is the InChIKey of 2-(2-ethylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde?
The InChIKey is WTCWXNBFHMGTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-2-9-5-3-4-6-13(9)11-12-7-10(8-14)15-11/h7-9H,2-6H2,1H3.
What are the key properties of 2-(2-ethylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde?
2-(2-ethylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde has a molecular weight of 224.33 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 62757973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).