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

C10H14N2O2S — CID 79669339

IUPAC2-(4-ethylmorpholin-2-yl)-1,3-thiazole-5-carbaldehyde
SMILESCCN1CCOC(c2ncc(C=O)s2)C1
InChIInChI=1S/C10H14N2O2S/c1-2-12-3-4-14-9(6-12)10-11-5-8(7-13)15-10/h5,7,9H,2-4,6H2,1H3
InChIKeyWRSIZSDPCWKOCG-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.35
Rot. Bonds3

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

2-(4-ethylmorpholin-2-yl)-1,3-thiazole-5-carbaldehyde (PubChem CID 79669339) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 2-(4-ethylmorpholin-2-yl)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(4-ethylmorpholin-2-yl)-1,3-thiazole-5-carbaldehyde
PubChem CID79669339
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name2-(4-ethylmorpholin-2-yl)-1,3-thiazole-5-carbaldehyde
SMILESCCN1CCOC(c2ncc(C=O)s2)C1
InChIInChI=1S/C10H14N2O2S/c1-2-12-3-4-14-9(6-12)10-11-5-8(7-13)15-10/h5,7,9H,2-4,6H2,1H3
InChIKeyWRSIZSDPCWKOCG-UHFFFAOYSA-N
XLogP1.35
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.35
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

2-(Methoxymethyl)thiazole-5-carbaldehyde
CID 45121687
2-(1-Methoxyethyl)-1,3-thiazole-5-carbaldehyde
CID 79616131
2-(2-Methyl-1,3-dioxolan-2-yl)-1,3-thiazole-5-carbaldehyde
CID 54326570
2-(1-Hydroxyethyl)-1,3-thiazole-5-carbaldehyde
CID 86811561
(2-tert-butyl-1,3-thiazol-5-yl)-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone
CID 129367238
2-(2,2,3,3-Tetrafluoropropoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 103475980
2-(2,2,2-Trifluoroethoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 103475981
1-(2-Morpholin-2-yl-1,3-thiazol-5-yl)ethanone
CID 53847372
2-(2-Hydroxypropan-2-yl)-1,3-thiazole-5-carbaldehyde
CID 57441006
1-(5-Methyl-1,3-thiazol-2-yl)-2-morpholin-4-ylethanone
CID 57701978
2-(2-Methoxypropan-2-yl)-1,3-thiazole-5-carbaldehyde
CID 58221377
4-(2-Methyl-1,3-thiazole-5-carbonyl)morpholine
CID 68014567

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylmorpholin-2-yl)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-(4-ethylmorpholin-2-yl)-1,3-thiazole-5-carbaldehyde (CID 79669339) is 2-(4-ethylmorpholin-2-yl)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-(4-ethylmorpholin-2-yl)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-(4-ethylmorpholin-2-yl)-1,3-thiazole-5-carbaldehyde is CCN1CCOC(c2ncc(C=O)s2)C1.
What is the InChIKey of 2-(4-ethylmorpholin-2-yl)-1,3-thiazole-5-carbaldehyde?
The InChIKey is WRSIZSDPCWKOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-2-12-3-4-14-9(6-12)10-11-5-8(7-13)15-10/h5,7,9H,2-4,6H2,1H3.
What are the key properties of 2-(4-ethylmorpholin-2-yl)-1,3-thiazole-5-carbaldehyde?
2-(4-ethylmorpholin-2-yl)-1,3-thiazole-5-carbaldehyde has a molecular weight of 226.30 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylmorpholin-2-yl)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 79669339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).