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

C10H16N2O2S — CID 107508930

IUPAC2-(diethylamino)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
SMILESCCN(CC)c1nc(COC)c(C=O)s1
InChIInChI=1S/C10H16N2O2S/c1-4-12(5-2)10-11-8(7-14-3)9(6-13)15-10/h6H,4-5,7H2,1-3H3
InChIKeyDLGSMWICGMMOLL-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.95
Rot. Bonds6

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

2-(diethylamino)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde (PubChem CID 107508930) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 2-(diethylamino)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(diethylamino)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
PubChem CID107508930
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name2-(diethylamino)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
SMILESCCN(CC)c1nc(COC)c(C=O)s1
InChIInChI=1S/C10H16N2O2S/c1-4-12(5-2)10-11-8(7-14-3)9(6-13)15-10/h6H,4-5,7H2,1-3H3
InChIKeyDLGSMWICGMMOLL-UHFFFAOYSA-N
XLogP1.95
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.95
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-(diethylamino)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-(diethylamino)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde (CID 107508930) is 2-(diethylamino)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-(diethylamino)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-(diethylamino)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde is CCN(CC)c1nc(COC)c(C=O)s1.
What is the InChIKey of 2-(diethylamino)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde?
The InChIKey is DLGSMWICGMMOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-4-12(5-2)10-11-8(7-14-3)9(6-13)15-10/h6H,4-5,7H2,1-3H3.
What are the key properties of 2-(diethylamino)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde?
2-(diethylamino)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde has a molecular weight of 228.32 g/mol, XLogP of 1.95, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 107508930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).