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

C11H16N2O2S — CID 62764374

IUPAC2-(2-ethylmorpholin-4-yl)-4-methyl-1,3-thiazole-5-carbaldehyde
SMILESCCC1CN(c2nc(C)c(C=O)s2)CCO1
InChIInChI=1S/C11H16N2O2S/c1-3-9-6-13(4-5-15-9)11-12-8(2)10(7-14)16-11/h7,9H,3-6H2,1-2H3
InChIKeyURLBUYRFIIXRRZ-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.88
Rot. Bonds3

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

2-(2-ethylmorpholin-4-yl)-4-methyl-1,3-thiazole-5-carbaldehyde (PubChem CID 62764374) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-(2-ethylmorpholin-4-yl)-4-methyl-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(2-ethylmorpholin-4-yl)-4-methyl-1,3-thiazole-5-carbaldehyde
PubChem CID62764374
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name2-(2-ethylmorpholin-4-yl)-4-methyl-1,3-thiazole-5-carbaldehyde
SMILESCCC1CN(c2nc(C)c(C=O)s2)CCO1
InChIInChI=1S/C11H16N2O2S/c1-3-9-6-13(4-5-15-9)11-12-8(2)10(7-14)16-11/h7,9H,3-6H2,1-2H3
InChIKeyURLBUYRFIIXRRZ-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-ethylmorpholin-4-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 62751302
2-(4-ethyl-3-methylpiperazin-1-yl)-4-methyl-1,3-thiazole-5-carbaldehyde
CID 63621380
2-(3-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazole-5-carbaldehyde
CID 55112644
[2-(2-ethylmorpholin-4-yl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 55117413
4-(methoxymethyl)-2-(2-methylmorpholin-4-yl)-1,3-thiazole-5-carbaldehyde
CID 107508936
[2-(2-ethylmorpholin-4-yl)-1,3-thiazol-5-yl]methanamine
CID 62751187
2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methyl-1,3-thiazole-5-carbaldehyde
CID 62764717
N-ethyl-2-(2-ethylmorpholin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64976775
N-[[4-cyclopropyl-2-(2-ethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 63916963
2-(2-ethylmorpholin-4-yl)-5-fluorobenzaldehyde
CID 43562829
methyl 4-(4,5-dimethyl-1,3-thiazol-2-yl)morpholine-2-carboxylate
CID 115538567
3-(2-ethylmorpholin-4-yl)-5,6-dimethylpyridazine-4-carboxylic acid
CID 62703015

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylmorpholin-4-yl)-4-methyl-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-(2-ethylmorpholin-4-yl)-4-methyl-1,3-thiazole-5-carbaldehyde (CID 62764374) is 2-(2-ethylmorpholin-4-yl)-4-methyl-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-(2-ethylmorpholin-4-yl)-4-methyl-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-(2-ethylmorpholin-4-yl)-4-methyl-1,3-thiazole-5-carbaldehyde is CCC1CN(c2nc(C)c(C=O)s2)CCO1.
What is the InChIKey of 2-(2-ethylmorpholin-4-yl)-4-methyl-1,3-thiazole-5-carbaldehyde?
The InChIKey is URLBUYRFIIXRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-3-9-6-13(4-5-15-9)11-12-8(2)10(7-14)16-11/h7,9H,3-6H2,1-2H3.
What are the key properties of 2-(2-ethylmorpholin-4-yl)-4-methyl-1,3-thiazole-5-carbaldehyde?
2-(2-ethylmorpholin-4-yl)-4-methyl-1,3-thiazole-5-carbaldehyde has a molecular weight of 240.33 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylmorpholin-4-yl)-4-methyl-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 62764374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).