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

C11H16N2OS — CID 131297673

IUPAC4-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazole-5-carbaldehyde
SMILESCc1nc(C2CCCN(C)C2)sc1C=O
InChIInChI=1S/C11H16N2OS/c1-8-10(7-14)15-11(12-8)9-4-3-5-13(2)6-9/h7,9H,3-6H2,1-2H3
InChIKeyGOLHTWLYQQFQDX-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.07
Rot. Bonds2

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

4-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazole-5-carbaldehyde (PubChem CID 131297673) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 4-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazole-5-carbaldehyde
PubChem CID131297673
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name4-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazole-5-carbaldehyde
SMILESCc1nc(C2CCCN(C)C2)sc1C=O
InChIInChI=1S/C11H16N2OS/c1-8-10(7-14)15-11(12-8)9-4-3-5-13(2)6-9/h7,9H,3-6H2,1-2H3
InChIKeyGOLHTWLYQQFQDX-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-(1-methylpiperidin-3-yl)-1,3-thiazole-2-carbaldehyde
CID 116867320
2-amino-2-[4-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazol-5-yl]acetic acid
CID 116886675
1-[4-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazol-5-yl]propan-2-amine
CID 116884662
2-tert-butyl-4-(5-formyl-4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid
CID 87553401
6-(1-methylpiperidin-3-yl)thieno[2,3-b]pyridine-2-carbaldehyde
CID 170747425
4-methyl-2-(4-methylazepan-1-yl)-1,3-thiazole-5-carbaldehyde
CID 63626495
5-methyl-4-[(3R)-1-methylpiperidin-3-yl]-1,3-thiazol-2-amine
CID 177161274
formamide;2-methyl-6-(1-methylpiperidin-3-yl)thieno[2,3-b]pyridine
CID 177202390
2-(1-ethylpiperidin-3-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 91811972
2-[3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]acetic acid
CID 119135139
1-[4-methyl-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]propan-2-amine
CID 116884663
3-methyl-2-[4-methyl-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]butan-1-ol
CID 116887238

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazole-5-carbaldehyde (CID 131297673) is 4-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazole-5-carbaldehyde is Cc1nc(C2CCCN(C)C2)sc1C=O.
What is the InChIKey of 4-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazole-5-carbaldehyde?
The InChIKey is GOLHTWLYQQFQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-8-10(7-14)15-11(12-8)9-4-3-5-13(2)6-9/h7,9H,3-6H2,1-2H3.
What are the key properties of 4-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazole-5-carbaldehyde?
4-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazole-5-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 4-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 131297673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).