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

C11H16N2O3S — CID 107508974

IUPAC4-(methoxymethyl)-2-(3-methylmorpholin-4-yl)-1,3-thiazole-5-carbaldehyde
SMILESCOCc1nc(N2CCOCC2C)sc1C=O
InChIInChI=1S/C11H16N2O3S/c1-8-6-16-4-3-13(8)11-12-9(7-15-2)10(5-14)17-11/h5,8H,3-4,6-7H2,1-2H3
InChIKeyPHTSFXNUNQNXQX-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.33
Rot. Bonds4

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

4-(methoxymethyl)-2-(3-methylmorpholin-4-yl)-1,3-thiazole-5-carbaldehyde (PubChem CID 107508974) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-(3-methylmorpholin-4-yl)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-(methoxymethyl)-2-(3-methylmorpholin-4-yl)-1,3-thiazole-5-carbaldehyde
PubChem CID107508974
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name4-(methoxymethyl)-2-(3-methylmorpholin-4-yl)-1,3-thiazole-5-carbaldehyde
SMILESCOCc1nc(N2CCOCC2C)sc1C=O
InChIInChI=1S/C11H16N2O3S/c1-8-6-16-4-3-13(8)11-12-9(7-15-2)10(5-14)17-11/h5,8H,3-4,6-7H2,1-2H3
InChIKeyPHTSFXNUNQNXQX-UHFFFAOYSA-N
XLogP1.33
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(methoxymethyl)-2-(2-methylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde
CID 107508919
4-(methoxymethyl)-2-(4-methoxy-2-methylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde
CID 114221607
2-(3,4-dimethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 107509145
2-(3-methylmorpholin-4-yl)-4-phenyl-1,3-thiazole-5-carbaldehyde
CID 62765068
4-(methoxymethyl)-2-(2-methylmorpholin-4-yl)-1,3-thiazole-5-carbaldehyde
CID 107508936
2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 107509029
4-(methoxymethyl)-2-(4-methylazepan-1-yl)-1,3-thiazole-5-carbaldehyde
CID 107509111
2-[4-(dimethylamino)piperidin-1-yl]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 107508976
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 107509017
2-(3,4-dihydro-2H-quinolin-1-yl)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 107508921
2-(2-azaspiro[4.4]nonan-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 114279596
3-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine
CID 130685662

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-(3-methylmorpholin-4-yl)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-(methoxymethyl)-2-(3-methylmorpholin-4-yl)-1,3-thiazole-5-carbaldehyde (CID 107508974) is 4-(methoxymethyl)-2-(3-methylmorpholin-4-yl)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-(methoxymethyl)-2-(3-methylmorpholin-4-yl)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-(methoxymethyl)-2-(3-methylmorpholin-4-yl)-1,3-thiazole-5-carbaldehyde is COCc1nc(N2CCOCC2C)sc1C=O.
What is the InChIKey of 4-(methoxymethyl)-2-(3-methylmorpholin-4-yl)-1,3-thiazole-5-carbaldehyde?
The InChIKey is PHTSFXNUNQNXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-8-6-16-4-3-13(8)11-12-9(7-15-2)10(5-14)17-11/h5,8H,3-4,6-7H2,1-2H3.
What are the key properties of 4-(methoxymethyl)-2-(3-methylmorpholin-4-yl)-1,3-thiazole-5-carbaldehyde?
4-(methoxymethyl)-2-(3-methylmorpholin-4-yl)-1,3-thiazole-5-carbaldehyde has a molecular weight of 256.33 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-(3-methylmorpholin-4-yl)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 107508974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).