2-[[ethyl(methyl)amino]methyl]-1,3-thiazole-4-carbaldehyde

C8H12N2OS — CID 165440165

IUPAC2-[[ethyl(methyl)amino]methyl]-1,3-thiazole-4-carbaldehyde
SMILESCCN(C)Cc1nc(C=O)cs1
InChIInChI=1S/C8H12N2OS/c1-3-10(2)4-8-9-7(5-11)6-12-8/h5-6H,3-4H2,1-2H3
InChIKeyMBIHSZTYTMQPOX-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.41
Rot. Bonds4

About 2-[[ethyl(methyl)amino]methyl]-1,3-thiazole-4-carbaldehyde

2-[[ethyl(methyl)amino]methyl]-1,3-thiazole-4-carbaldehyde (PubChem CID 165440165) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 2-[[ethyl(methyl)amino]methyl]-1,3-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name2-[[ethyl(methyl)amino]methyl]-1,3-thiazole-4-carbaldehyde
PubChem CID165440165
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name2-[[ethyl(methyl)amino]methyl]-1,3-thiazole-4-carbaldehyde
SMILESCCN(C)Cc1nc(C=O)cs1
InChIInChI=1S/C8H12N2OS/c1-3-10(2)4-8-9-7(5-11)6-12-8/h5-6H,3-4H2,1-2H3
InChIKeyMBIHSZTYTMQPOX-UHFFFAOYSA-N
XLogP1.41
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[[ethyl(methyl)amino]methyl]-1,3-thiazole-4-carbaldehyde?
The IUPAC name of 2-[[ethyl(methyl)amino]methyl]-1,3-thiazole-4-carbaldehyde (CID 165440165) is 2-[[ethyl(methyl)amino]methyl]-1,3-thiazole-4-carbaldehyde.
What is the SMILES notation for 2-[[ethyl(methyl)amino]methyl]-1,3-thiazole-4-carbaldehyde?
The canonical SMILES for 2-[[ethyl(methyl)amino]methyl]-1,3-thiazole-4-carbaldehyde is CCN(C)Cc1nc(C=O)cs1.
What is the InChIKey of 2-[[ethyl(methyl)amino]methyl]-1,3-thiazole-4-carbaldehyde?
The InChIKey is MBIHSZTYTMQPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-3-10(2)4-8-9-7(5-11)6-12-8/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-[[ethyl(methyl)amino]methyl]-1,3-thiazole-4-carbaldehyde?
2-[[ethyl(methyl)amino]methyl]-1,3-thiazole-4-carbaldehyde has a molecular weight of 184.26 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(methyl)amino]methyl]-1,3-thiazole-4-carbaldehyde is sourced from PubChem (CID 165440165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).