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

C9H12N2O2S — CID 79088330

IUPAC2-(4-methylmorpholin-2-yl)-1,3-thiazole-5-carbaldehyde
SMILESCN1CCOC(c2ncc(C=O)s2)C1
InChIInChI=1S/C9H12N2O2S/c1-11-2-3-13-8(5-11)9-10-4-7(6-12)14-9/h4,6,8H,2-3,5H2,1H3
InChIKeyKGMYMMSWLXIPST-UHFFFAOYSA-N
MW212.27 g/mol
LogP0.96
Rot. Bonds2

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

2-(4-methylmorpholin-2-yl)-1,3-thiazole-5-carbaldehyde (PubChem CID 79088330) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is 2-(4-methylmorpholin-2-yl)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(4-methylmorpholin-2-yl)-1,3-thiazole-5-carbaldehyde
PubChem CID79088330
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Name2-(4-methylmorpholin-2-yl)-1,3-thiazole-5-carbaldehyde
SMILESCN1CCOC(c2ncc(C=O)s2)C1
InChIInChI=1S/C9H12N2O2S/c1-11-2-3-13-8(5-11)9-10-4-7(6-12)14-9/h4,6,8H,2-3,5H2,1H3
InChIKeyKGMYMMSWLXIPST-UHFFFAOYSA-N
XLogP0.96
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 50.96
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-(4-methylmorpholin-2-yl)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-(4-methylmorpholin-2-yl)-1,3-thiazole-5-carbaldehyde (CID 79088330) is 2-(4-methylmorpholin-2-yl)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-(4-methylmorpholin-2-yl)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-(4-methylmorpholin-2-yl)-1,3-thiazole-5-carbaldehyde is CN1CCOC(c2ncc(C=O)s2)C1.
What is the InChIKey of 2-(4-methylmorpholin-2-yl)-1,3-thiazole-5-carbaldehyde?
The InChIKey is KGMYMMSWLXIPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c1-11-2-3-13-8(5-11)9-10-4-7(6-12)14-9/h4,6,8H,2-3,5H2,1H3.
What are the key properties of 2-(4-methylmorpholin-2-yl)-1,3-thiazole-5-carbaldehyde?
2-(4-methylmorpholin-2-yl)-1,3-thiazole-5-carbaldehyde has a molecular weight of 212.27 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylmorpholin-2-yl)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 79088330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).