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

C11H16N2O2S — CID 79664972

IUPAC2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazole-5-carbaldehyde
SMILESCC(C)N1CCOC(c2ncc(C=O)s2)C1
InChIInChI=1S/C11H16N2O2S/c1-8(2)13-3-4-15-10(6-13)11-12-5-9(7-14)16-11/h5,7-8,10H,3-4,6H2,1-2H3
InChIKeyWHIZYUQJNZFZAZ-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.74
Rot. Bonds3

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

2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazole-5-carbaldehyde (PubChem CID 79664972) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazole-5-carbaldehyde
PubChem CID79664972
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazole-5-carbaldehyde
SMILESCC(C)N1CCOC(c2ncc(C=O)s2)C1
InChIInChI=1S/C11H16N2O2S/c1-8(2)13-3-4-15-10(6-13)11-12-5-9(7-14)16-11/h5,7-8,10H,3-4,6H2,1-2H3
InChIKeyWHIZYUQJNZFZAZ-UHFFFAOYSA-N
XLogP1.74
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.74
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-propan-2-ylmorpholin-2-yl)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazole-5-carbaldehyde (CID 79664972) is 2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazole-5-carbaldehyde is CC(C)N1CCOC(c2ncc(C=O)s2)C1.
What is the InChIKey of 2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazole-5-carbaldehyde?
The InChIKey is WHIZYUQJNZFZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-8(2)13-3-4-15-10(6-13)11-12-5-9(7-14)16-11/h5,7-8,10H,3-4,6H2,1-2H3.
What are the key properties of 2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazole-5-carbaldehyde?
2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazole-5-carbaldehyde has a molecular weight of 240.33 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 79664972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).