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

C15H24N2OS — CID 62766111

IUPAC4-propyl-2-(4-propylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde
SMILESCCCc1nc(N2CCC(CCC)CC2)sc1C=O
InChIInChI=1S/C15H24N2OS/c1-3-5-12-7-9-17(10-8-12)15-16-13(6-4-2)14(11-18)19-15/h11-12H,3-10H2,1-2H3
InChIKeyWBHGBHNUQVAHTC-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.92
Rot. Bonds6

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

4-propyl-2-(4-propylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde (PubChem CID 62766111) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 4-propyl-2-(4-propylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-propyl-2-(4-propylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde
PubChem CID62766111
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name4-propyl-2-(4-propylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde
SMILESCCCc1nc(N2CCC(CCC)CC2)sc1C=O
InChIInChI=1S/C15H24N2OS/c1-3-5-12-7-9-17(10-8-12)15-16-13(6-4-2)14(11-18)19-15/h11-12H,3-10H2,1-2H3
InChIKeyWBHGBHNUQVAHTC-UHFFFAOYSA-N
XLogP3.92
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.92
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-[4-(methoxymethyl)piperidin-1-yl]-4-propyl-1,3-thiazole-5-carbaldehyde
CID 63979718
2-(4-tert-butylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde
CID 63514260
2-(azocan-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde
CID 62766450
4-chloro-2-(4-propylazepan-1-yl)-1,3-thiazole-5-carbaldehyde
CID 80687435
2-(4-ethyl-4-methylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde
CID 55158334
2-(4-propylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde
CID 62749950
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
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 107509017
2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-4-propyl-1,3-thiazole-5-carbaldehyde
CID 81469738
2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-propyl-1,3-thiazole-5-carbaldehyde
CID 62765585
2-[4-(dimethylamino)piperidin-1-yl]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 107508976
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-propyl-1,3-thiazole-5-carbaldehyde
CID 62764732

Frequently Asked Questions

What is the IUPAC name of 4-propyl-2-(4-propylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-propyl-2-(4-propylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde (CID 62766111) is 4-propyl-2-(4-propylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-propyl-2-(4-propylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-propyl-2-(4-propylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde is CCCc1nc(N2CCC(CCC)CC2)sc1C=O.
What is the InChIKey of 4-propyl-2-(4-propylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde?
The InChIKey is WBHGBHNUQVAHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-3-5-12-7-9-17(10-8-12)15-16-13(6-4-2)14(11-18)19-15/h11-12H,3-10H2,1-2H3.
What are the key properties of 4-propyl-2-(4-propylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde?
4-propyl-2-(4-propylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde has a molecular weight of 280.44 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-2-(4-propylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 62766111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).