2-[2-[4-(2,6-dimethylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]phenyl]acetaldehyde

C19H22N2O2S — CID 87758392

IUPAC2-[2-[4-(2,6-dimethylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]phenyl]acetaldehyde
SMILESCC1CCCC(C)N1C(=O)c1csc(-c2ccccc2CC=O)n1
InChIInChI=1S/C19H22N2O2S/c1-13-6-5-7-14(2)21(13)19(23)17-12-24-18(20-17)16-9-4-3-8-15(16)10-11-22/h3-4,8-9,11-14H,5-7,10H2,1-2H3
InChIKeyAAWBPBZZZJIGAX-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.95
Rot. Bonds4

About 2-[2-[4-(2,6-dimethylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]phenyl]acetaldehyde

2-[2-[4-(2,6-dimethylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]phenyl]acetaldehyde (PubChem CID 87758392) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is 2-[2-[4-(2,6-dimethylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]phenyl]acetaldehyde.

Molecular Properties

Compound Name2-[2-[4-(2,6-dimethylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]phenyl]acetaldehyde
PubChem CID87758392
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name2-[2-[4-(2,6-dimethylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]phenyl]acetaldehyde
SMILESCC1CCCC(C)N1C(=O)c1csc(-c2ccccc2CC=O)n1
InChIInChI=1S/C19H22N2O2S/c1-13-6-5-7-14(2)21(13)19(23)17-12-24-18(20-17)16-9-4-3-8-15(16)10-11-22/h3-4,8-9,11-14H,5-7,10H2,1-2H3
InChIKeyAAWBPBZZZJIGAX-UHFFFAOYSA-N
XLogP3.95
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2,6-dimethylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]phenyl]acetaldehyde?
The IUPAC name of 2-[2-[4-(2,6-dimethylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]phenyl]acetaldehyde (CID 87758392) is 2-[2-[4-(2,6-dimethylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]phenyl]acetaldehyde.
What is the SMILES notation for 2-[2-[4-(2,6-dimethylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]phenyl]acetaldehyde?
The canonical SMILES for 2-[2-[4-(2,6-dimethylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]phenyl]acetaldehyde is CC1CCCC(C)N1C(=O)c1csc(-c2ccccc2CC=O)n1.
What is the InChIKey of 2-[2-[4-(2,6-dimethylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]phenyl]acetaldehyde?
The InChIKey is AAWBPBZZZJIGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-13-6-5-7-14(2)21(13)19(23)17-12-24-18(20-17)16-9-4-3-8-15(16)10-11-22/h3-4,8-9,11-14H,5-7,10H2,1-2H3.
What are the key properties of 2-[2-[4-(2,6-dimethylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]phenyl]acetaldehyde?
2-[2-[4-(2,6-dimethylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]phenyl]acetaldehyde has a molecular weight of 342.46 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2,6-dimethylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]phenyl]acetaldehyde is sourced from PubChem (CID 87758392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).