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

C11H16N2OS — CID 116867320

IUPAC5-methyl-4-(1-methylpiperidin-3-yl)-1,3-thiazole-2-carbaldehyde
SMILESCc1sc(C=O)nc1C1CCCN(C)C1
InChIInChI=1S/C11H16N2OS/c1-8-11(12-10(7-14)15-8)9-4-3-5-13(2)6-9/h7,9H,3-6H2,1-2H3
InChIKeyLLUWPVZDGMOKJD-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.07
Rot. Bonds2

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

5-methyl-4-(1-methylpiperidin-3-yl)-1,3-thiazole-2-carbaldehyde (PubChem CID 116867320) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 5-methyl-4-(1-methylpiperidin-3-yl)-1,3-thiazole-2-carbaldehyde.

Molecular Properties

Compound Name5-methyl-4-(1-methylpiperidin-3-yl)-1,3-thiazole-2-carbaldehyde
PubChem CID116867320
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name5-methyl-4-(1-methylpiperidin-3-yl)-1,3-thiazole-2-carbaldehyde
SMILESCc1sc(C=O)nc1C1CCCN(C)C1
InChIInChI=1S/C11H16N2OS/c1-8-11(12-10(7-14)15-8)9-4-3-5-13(2)6-9/h7,9H,3-6H2,1-2H3
InChIKeyLLUWPVZDGMOKJD-UHFFFAOYSA-N
XLogP2.07
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.07
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

5-methyl-4-[(3R)-1-methylpiperidin-3-yl]-1,3-thiazol-2-amine
CID 177161274
4-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazole-5-carbaldehyde
CID 131297673
[1-[5-methyl-4-(1-methylpiperidin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]methanamine
CID 116865386
6-(1-methylpiperidin-3-yl)thieno[2,3-b]pyridine-2-carbaldehyde
CID 170747425
formamide;2-methyl-6-(1-methylpiperidin-3-yl)thieno[2,3-b]pyridine
CID 177202390
6-(1-methylpiperidin-3-yl)pyrimidine-4-carbaldehyde
CID 116857816
3-(4-bromo-5-methyl-1H-pyrazol-3-yl)-1-methylpiperidine
CID 116856706
7-methyl-2-(1-methylpiperidin-3-yl)imidazo[1,2-a]pyridine
CID 117134044
2-amino-2-[4-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazol-5-yl]acetic acid
CID 116886675
1-methyl-3-(1-methylpiperidin-3-yl)pyrazol-4-amine
CID 116827052
5-[(3S)-1-methylpiperidin-3-yl]-3-(2-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole
CID 143331174
N,N,2-trimethyl-6-[(3R)-1-methylpiperidin-3-yl]pyridin-4-amine
CID 125000369

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(1-methylpiperidin-3-yl)-1,3-thiazole-2-carbaldehyde?
The IUPAC name of 5-methyl-4-(1-methylpiperidin-3-yl)-1,3-thiazole-2-carbaldehyde (CID 116867320) is 5-methyl-4-(1-methylpiperidin-3-yl)-1,3-thiazole-2-carbaldehyde.
What is the SMILES notation for 5-methyl-4-(1-methylpiperidin-3-yl)-1,3-thiazole-2-carbaldehyde?
The canonical SMILES for 5-methyl-4-(1-methylpiperidin-3-yl)-1,3-thiazole-2-carbaldehyde is Cc1sc(C=O)nc1C1CCCN(C)C1.
What is the InChIKey of 5-methyl-4-(1-methylpiperidin-3-yl)-1,3-thiazole-2-carbaldehyde?
The InChIKey is LLUWPVZDGMOKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-8-11(12-10(7-14)15-8)9-4-3-5-13(2)6-9/h7,9H,3-6H2,1-2H3.
What are the key properties of 5-methyl-4-(1-methylpiperidin-3-yl)-1,3-thiazole-2-carbaldehyde?
5-methyl-4-(1-methylpiperidin-3-yl)-1,3-thiazole-2-carbaldehyde has a molecular weight of 224.33 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(1-methylpiperidin-3-yl)-1,3-thiazole-2-carbaldehyde is sourced from PubChem (CID 116867320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).