2-(2,2-dimethylmorpholin-4-yl)-4-propan-2-yl-1,3-thiazole-5-carbaldehyde

C13H20N2O2S — CID 79392687

IUPAC2-(2,2-dimethylmorpholin-4-yl)-4-propan-2-yl-1,3-thiazole-5-carbaldehyde
SMILESCC(C)c1nc(N2CCOC(C)(C)C2)sc1C=O
InChIInChI=1S/C13H20N2O2S/c1-9(2)11-10(7-16)18-12(14-11)15-5-6-17-13(3,4)8-15/h7,9H,5-6,8H2,1-4H3
InChIKeyNVRDDDOZFZPKRT-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.69
Rot. Bonds3

About 2-(2,2-dimethylmorpholin-4-yl)-4-propan-2-yl-1,3-thiazole-5-carbaldehyde

2-(2,2-dimethylmorpholin-4-yl)-4-propan-2-yl-1,3-thiazole-5-carbaldehyde (PubChem CID 79392687) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-(2,2-dimethylmorpholin-4-yl)-4-propan-2-yl-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(2,2-dimethylmorpholin-4-yl)-4-propan-2-yl-1,3-thiazole-5-carbaldehyde
PubChem CID79392687
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-(2,2-dimethylmorpholin-4-yl)-4-propan-2-yl-1,3-thiazole-5-carbaldehyde
SMILESCC(C)c1nc(N2CCOC(C)(C)C2)sc1C=O
InChIInChI=1S/C13H20N2O2S/c1-9(2)11-10(7-16)18-12(14-11)15-5-6-17-13(3,4)8-15/h7,9H,5-6,8H2,1-4H3
InChIKeyNVRDDDOZFZPKRT-UHFFFAOYSA-N
XLogP2.69
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.69
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 2-(2,2-dimethylmorpholin-4-yl)-4-propan-2-yl-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-(2,2-dimethylmorpholin-4-yl)-4-propan-2-yl-1,3-thiazole-5-carbaldehyde (CID 79392687) is 2-(2,2-dimethylmorpholin-4-yl)-4-propan-2-yl-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-(2,2-dimethylmorpholin-4-yl)-4-propan-2-yl-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-(2,2-dimethylmorpholin-4-yl)-4-propan-2-yl-1,3-thiazole-5-carbaldehyde is CC(C)c1nc(N2CCOC(C)(C)C2)sc1C=O.
What is the InChIKey of 2-(2,2-dimethylmorpholin-4-yl)-4-propan-2-yl-1,3-thiazole-5-carbaldehyde?
The InChIKey is NVRDDDOZFZPKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-9(2)11-10(7-16)18-12(14-11)15-5-6-17-13(3,4)8-15/h7,9H,5-6,8H2,1-4H3.
What are the key properties of 2-(2,2-dimethylmorpholin-4-yl)-4-propan-2-yl-1,3-thiazole-5-carbaldehyde?
2-(2,2-dimethylmorpholin-4-yl)-4-propan-2-yl-1,3-thiazole-5-carbaldehyde has a molecular weight of 268.38 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylmorpholin-4-yl)-4-propan-2-yl-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 79392687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).