2-(3,3-dimethylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazole-5-carbaldehyde

C14H22N2OS — CID 79392698

IUPAC2-(3,3-dimethylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazole-5-carbaldehyde
SMILESCC(C)c1nc(N2CCCC(C)(C)C2)sc1C=O
InChIInChI=1S/C14H22N2OS/c1-10(2)12-11(8-17)18-13(15-12)16-7-5-6-14(3,4)9-16/h8,10H,5-7,9H2,1-4H3
InChIKeyTZRWZBTZEMVEJO-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.71
Rot. Bonds3

About 2-(3,3-dimethylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazole-5-carbaldehyde

2-(3,3-dimethylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazole-5-carbaldehyde (PubChem CID 79392698) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-(3,3-dimethylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(3,3-dimethylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazole-5-carbaldehyde
PubChem CID79392698
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name2-(3,3-dimethylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazole-5-carbaldehyde
SMILESCC(C)c1nc(N2CCCC(C)(C)C2)sc1C=O
InChIInChI=1S/C14H22N2OS/c1-10(2)12-11(8-17)18-13(15-12)16-7-5-6-14(3,4)9-16/h8,10H,5-7,9H2,1-4H3
InChIKeyTZRWZBTZEMVEJO-UHFFFAOYSA-N
XLogP3.71
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.71
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-Methyl-2-piperidin-1-yl-thiazole-5-carbaldehyde
CID 2402636
1-[4-Tert-butyl-2-(dimethylamino)-1,3-thiazol-5-yl]ethanone
CID 82439628
1-(4-Methyl-2-(4-methylpiperazin-1-yl)thiazol-5-yl)ethan-1-one
CID 9111631
2-[Cyclopropyl(2,2,2-trifluoroethyl)amino]-4-ethyl-1,3-thiazole-5-carbaldehyde
CID 55113371
4-Ethyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 62764568
4-Tert-butyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 62764744
4-Ethyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 62764745
4-Tert-butyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 62764916
4-Tert-butyl-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 62765085
4-Ethyl-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 62765254
4-Ethyl-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 62765256
4-Propyl-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 62765257

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-(3,3-dimethylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazole-5-carbaldehyde (CID 79392698) is 2-(3,3-dimethylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-(3,3-dimethylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-(3,3-dimethylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazole-5-carbaldehyde is CC(C)c1nc(N2CCCC(C)(C)C2)sc1C=O.
What is the InChIKey of 2-(3,3-dimethylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazole-5-carbaldehyde?
The InChIKey is TZRWZBTZEMVEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-10(2)12-11(8-17)18-13(15-12)16-7-5-6-14(3,4)9-16/h8,10H,5-7,9H2,1-4H3.
What are the key properties of 2-(3,3-dimethylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazole-5-carbaldehyde?
2-(3,3-dimethylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazole-5-carbaldehyde has a molecular weight of 266.41 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 79392698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).