2-[2-methoxyethyl(2-methylpropyl)amino]-1,3-thiazole-5-carbaldehyde

C11H18N2O2S — CID 62750121

IUPAC2-[2-methoxyethyl(2-methylpropyl)amino]-1,3-thiazole-5-carbaldehyde
SMILESCOCCN(CC(C)C)c1ncc(C=O)s1
InChIInChI=1S/C11H18N2O2S/c1-9(2)7-13(4-5-15-3)11-12-6-10(8-14)16-11/h6,8-9H,4-5,7H2,1-3H3
InChIKeyMBWPNQYQULXOPZ-UHFFFAOYSA-N
MW242.34 g/mol
LogP2.06
Rot. Bonds7

About 2-[2-methoxyethyl(2-methylpropyl)amino]-1,3-thiazole-5-carbaldehyde

2-[2-methoxyethyl(2-methylpropyl)amino]-1,3-thiazole-5-carbaldehyde (PubChem CID 62750121) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 2-[2-methoxyethyl(2-methylpropyl)amino]-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-[2-methoxyethyl(2-methylpropyl)amino]-1,3-thiazole-5-carbaldehyde
PubChem CID62750121
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name2-[2-methoxyethyl(2-methylpropyl)amino]-1,3-thiazole-5-carbaldehyde
SMILESCOCCN(CC(C)C)c1ncc(C=O)s1
InChIInChI=1S/C11H18N2O2S/c1-9(2)7-13(4-5-15-3)11-12-6-10(8-14)16-11/h6,8-9H,4-5,7H2,1-3H3
InChIKeyMBWPNQYQULXOPZ-UHFFFAOYSA-N
XLogP2.06
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 52.06
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-[2-methoxyethyl(2-methylpropyl)amino]-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-[2-methoxyethyl(2-methylpropyl)amino]-1,3-thiazole-5-carbaldehyde (CID 62750121) is 2-[2-methoxyethyl(2-methylpropyl)amino]-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-[2-methoxyethyl(2-methylpropyl)amino]-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-[2-methoxyethyl(2-methylpropyl)amino]-1,3-thiazole-5-carbaldehyde is COCCN(CC(C)C)c1ncc(C=O)s1.
What is the InChIKey of 2-[2-methoxyethyl(2-methylpropyl)amino]-1,3-thiazole-5-carbaldehyde?
The InChIKey is MBWPNQYQULXOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-9(2)7-13(4-5-15-3)11-12-6-10(8-14)16-11/h6,8-9H,4-5,7H2,1-3H3.
What are the key properties of 2-[2-methoxyethyl(2-methylpropyl)amino]-1,3-thiazole-5-carbaldehyde?
2-[2-methoxyethyl(2-methylpropyl)amino]-1,3-thiazole-5-carbaldehyde has a molecular weight of 242.34 g/mol, XLogP of 2.06, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl(2-methylpropyl)amino]-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 62750121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).