4-(methoxymethyl)-2-(2-methylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde

C11H16N2O2S — CID 107508919

IUPAC4-(methoxymethyl)-2-(2-methylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde
SMILESCOCc1nc(N2CCCC2C)sc1C=O
InChIInChI=1S/C11H16N2O2S/c1-8-4-3-5-13(8)11-12-9(7-15-2)10(6-14)16-11/h6,8H,3-5,7H2,1-2H3
InChIKeyIVRUAHCBHFSUMZ-UHFFFAOYSA-N
MW240.33 g/mol
LogP2.09
Rot. Bonds4

About 4-(methoxymethyl)-2-(2-methylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde

4-(methoxymethyl)-2-(2-methylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde (PubChem CID 107508919) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-(2-methylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-(methoxymethyl)-2-(2-methylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde
PubChem CID107508919
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name4-(methoxymethyl)-2-(2-methylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde
SMILESCOCc1nc(N2CCCC2C)sc1C=O
InChIInChI=1S/C11H16N2O2S/c1-8-4-3-5-13(8)11-12-9(7-15-2)10(6-14)16-11/h6,8H,3-5,7H2,1-2H3
InChIKeyIVRUAHCBHFSUMZ-UHFFFAOYSA-N
XLogP2.09
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-(2-methylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-(methoxymethyl)-2-(2-methylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde (CID 107508919) is 4-(methoxymethyl)-2-(2-methylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-(methoxymethyl)-2-(2-methylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-(methoxymethyl)-2-(2-methylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde is COCc1nc(N2CCCC2C)sc1C=O.
What is the InChIKey of 4-(methoxymethyl)-2-(2-methylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde?
The InChIKey is IVRUAHCBHFSUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-8-4-3-5-13(8)11-12-9(7-15-2)10(6-14)16-11/h6,8H,3-5,7H2,1-2H3.
What are the key properties of 4-(methoxymethyl)-2-(2-methylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde?
4-(methoxymethyl)-2-(2-methylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde has a molecular weight of 240.33 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-(2-methylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 107508919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).