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

C11H16N2OS — CID 115088355

IUPAC2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-thiazole-4-carbaldehyde
SMILESCC(C)N1CCCC1c1nc(C=O)cs1
InChIInChI=1S/C11H16N2OS/c1-8(2)13-5-3-4-10(13)11-12-9(6-14)7-15-11/h6-8,10H,3-5H2,1-2H3
InChIKeyGFVNKWFALJSECO-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.50
Rot. Bonds3

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

2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-thiazole-4-carbaldehyde (PubChem CID 115088355) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-thiazole-4-carbaldehyde
PubChem CID115088355
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-thiazole-4-carbaldehyde
SMILESCC(C)N1CCCC1c1nc(C=O)cs1
InChIInChI=1S/C11H16N2OS/c1-8(2)13-5-3-4-10(13)11-12-9(6-14)7-15-11/h6-8,10H,3-5H2,1-2H3
InChIKeyGFVNKWFALJSECO-UHFFFAOYSA-N
XLogP2.50
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.50
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-(1-propan-2-ylpyrrolidin-2-yl)-1,3-thiazole-4-carbaldehyde?
The IUPAC name of 2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-thiazole-4-carbaldehyde (CID 115088355) is 2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-thiazole-4-carbaldehyde.
What is the SMILES notation for 2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-thiazole-4-carbaldehyde?
The canonical SMILES for 2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-thiazole-4-carbaldehyde is CC(C)N1CCCC1c1nc(C=O)cs1.
What is the InChIKey of 2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-thiazole-4-carbaldehyde?
The InChIKey is GFVNKWFALJSECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-8(2)13-5-3-4-10(13)11-12-9(6-14)7-15-11/h6-8,10H,3-5H2,1-2H3.
What are the key properties of 2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-thiazole-4-carbaldehyde?
2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-thiazole-4-carbaldehyde has a molecular weight of 224.33 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-thiazole-4-carbaldehyde is sourced from PubChem (CID 115088355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).