2-(3-methoxy-3-methylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde

C14H22N2O2S — CID 107395732

IUPAC2-(3-methoxy-3-methylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde
SMILESCCCc1nc(N2CCCC(C)(OC)C2)sc1C=O
InChIInChI=1S/C14H22N2O2S/c1-4-6-11-12(9-17)19-13(15-11)16-8-5-7-14(2,10-16)18-3/h9H,4-8,10H2,1-3H3
InChIKeyWLPDKTNSJVUSMU-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.91
Rot. Bonds5

About 2-(3-methoxy-3-methylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde

2-(3-methoxy-3-methylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde (PubChem CID 107395732) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-(3-methoxy-3-methylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(3-methoxy-3-methylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde
PubChem CID107395732
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name2-(3-methoxy-3-methylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde
SMILESCCCc1nc(N2CCCC(C)(OC)C2)sc1C=O
InChIInChI=1S/C14H22N2O2S/c1-4-6-11-12(9-17)19-13(15-11)16-8-5-7-14(2,10-16)18-3/h9H,4-8,10H2,1-3H3
InChIKeyWLPDKTNSJVUSMU-UHFFFAOYSA-N
XLogP2.91
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-(3-methoxy-3-methylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde
CID 107393347
N-[[2-(3-methoxy-3-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 107395753
2-(azocan-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde
CID 62766450
2-(4-ethyl-4-methylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde
CID 55158334
2-[4-(methoxymethyl)piperidin-1-yl]-4-propyl-1,3-thiazole-5-carbaldehyde
CID 63979718
2-(2-azaspiro[4.4]nonan-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 114279596
4-propyl-2-(4-propylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde
CID 62766111
2-(3,3-dimethylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazole-5-carbaldehyde
CID 79392698
2-(4-tert-butylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde
CID 63514260
2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-propyl-1,3-thiazole-5-carbaldehyde
CID 62765585
2-(3-methoxy-3-methylpiperidin-1-yl)-6-propylpyridine-4-carboxylic acid
CID 107392992
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-propyl-1,3-thiazole-5-carbaldehyde
CID 102728705

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-3-methylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-(3-methoxy-3-methylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde (CID 107395732) is 2-(3-methoxy-3-methylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-(3-methoxy-3-methylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-(3-methoxy-3-methylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde is CCCc1nc(N2CCCC(C)(OC)C2)sc1C=O.
What is the InChIKey of 2-(3-methoxy-3-methylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde?
The InChIKey is WLPDKTNSJVUSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-4-6-11-12(9-17)19-13(15-11)16-8-5-7-14(2,10-16)18-3/h9H,4-8,10H2,1-3H3.
What are the key properties of 2-(3-methoxy-3-methylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde?
2-(3-methoxy-3-methylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde has a molecular weight of 282.41 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-3-methylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 107395732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).