2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazole-5-carbaldehyde

C10H14N2O2S — CID 62757083

IUPAC2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazole-5-carbaldehyde
SMILESCC1CN(c2ncc(C=O)s2)CC(C)O1
InChIInChI=1S/C10H14N2O2S/c1-7-4-12(5-8(2)14-7)10-11-3-9(6-13)15-10/h3,6-8H,4-5H2,1-2H3
InChIKeyILNIQFXECGSOOK-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.57
Rot. Bonds2

About 2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazole-5-carbaldehyde

2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazole-5-carbaldehyde (PubChem CID 62757083) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazole-5-carbaldehyde
PubChem CID62757083
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazole-5-carbaldehyde
SMILESCC1CN(c2ncc(C=O)s2)CC(C)O1
InChIInChI=1S/C10H14N2O2S/c1-7-4-12(5-8(2)14-7)10-11-3-9(6-13)15-10/h3,6-8H,4-5H2,1-2H3
InChIKeyILNIQFXECGSOOK-UHFFFAOYSA-N
XLogP1.57
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.57
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-(2,6-dimethylmorpholin-4-yl)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazole-5-carbaldehyde (CID 62757083) is 2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazole-5-carbaldehyde is CC1CN(c2ncc(C=O)s2)CC(C)O1.
What is the InChIKey of 2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazole-5-carbaldehyde?
The InChIKey is ILNIQFXECGSOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-7-4-12(5-8(2)14-7)10-11-3-9(6-13)15-10/h3,6-8H,4-5H2,1-2H3.
What are the key properties of 2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazole-5-carbaldehyde?
2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazole-5-carbaldehyde has a molecular weight of 226.30 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 62757083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).