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

C16H26N2OS — CID 63514260

IUPAC2-(4-tert-butylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde
SMILESCCCc1nc(N2CCC(C(C)(C)C)CC2)sc1C=O
InChIInChI=1S/C16H26N2OS/c1-5-6-13-14(11-19)20-15(17-13)18-9-7-12(8-10-18)16(2,3)4/h11-12H,5-10H2,1-4H3
InChIKeyVWKKDJBHPBZDLX-UHFFFAOYSA-N
MW294.46 g/mol
LogP4.17
Rot. Bonds4

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

2-(4-tert-butylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde (PubChem CID 63514260) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 2-(4-tert-butylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(4-tert-butylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde
PubChem CID63514260
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name2-(4-tert-butylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde
SMILESCCCc1nc(N2CCC(C(C)(C)C)CC2)sc1C=O
InChIInChI=1S/C16H26N2OS/c1-5-6-13-14(11-19)20-15(17-13)18-9-7-12(8-10-18)16(2,3)4/h11-12H,5-10H2,1-4H3
InChIKeyVWKKDJBHPBZDLX-UHFFFAOYSA-N
XLogP4.17
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 54.17
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

4-propyl-2-(4-propylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde
CID 62766111
2-(azocan-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde
CID 62766450
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-thiazol-5-yl]methanamine
CID 62767664
2-(4-ethyl-4-methylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde
CID 55158334
2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-4-propyl-1,3-thiazole-5-carbaldehyde
CID 81469738
2-(3-tert-butylpyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazole-5-carbaldehyde
CID 113419190
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-(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
2-(3-methoxy-3-methylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde
CID 107395732

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-(4-tert-butylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde (CID 63514260) is 2-(4-tert-butylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-(4-tert-butylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-(4-tert-butylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde is CCCc1nc(N2CCC(C(C)(C)C)CC2)sc1C=O.
What is the InChIKey of 2-(4-tert-butylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde?
The InChIKey is VWKKDJBHPBZDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-5-6-13-14(11-19)20-15(17-13)18-9-7-12(8-10-18)16(2,3)4/h11-12H,5-10H2,1-4H3.
What are the key properties of 2-(4-tert-butylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde?
2-(4-tert-butylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde has a molecular weight of 294.46 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 63514260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).