2-(1,3-thiazol-2-ylmethylamino)acetaldehyde

C6H8N2OS — CID 89275790

IUPAC2-(1,3-thiazol-2-ylmethylamino)acetaldehyde
SMILESO=CCNCc1nccs1
InChIInChI=1S/C6H8N2OS/c9-3-1-7-5-6-8-2-4-10-6/h2-4,7H,1,5H2
InChIKeyQGVHDUSLLYUEGD-UHFFFAOYSA-N
MW156.21 g/mol
LogP0.43
Rot. Bonds4

About 2-(1,3-thiazol-2-ylmethylamino)acetaldehyde

2-(1,3-thiazol-2-ylmethylamino)acetaldehyde (PubChem CID 89275790) has the molecular formula C6H8N2OS and a molecular weight of 156.21 g/mol. Its IUPAC name is 2-(1,3-thiazol-2-ylmethylamino)acetaldehyde.

Molecular Properties

Compound Name2-(1,3-thiazol-2-ylmethylamino)acetaldehyde
PubChem CID89275790
Molecular FormulaC6H8N2OS
Molecular Weight156.21 g/mol
Exact Mass156.04
IUPAC Name2-(1,3-thiazol-2-ylmethylamino)acetaldehyde
SMILESO=CCNCc1nccs1
InChIInChI=1S/C6H8N2OS/c9-3-1-7-5-6-8-2-4-10-6/h2-4,7H,1,5H2
InChIKeyQGVHDUSLLYUEGD-UHFFFAOYSA-N
XLogP0.43
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-2-ylmethylamino)acetaldehyde?
The IUPAC name of 2-(1,3-thiazol-2-ylmethylamino)acetaldehyde (CID 89275790) is 2-(1,3-thiazol-2-ylmethylamino)acetaldehyde.
What is the SMILES notation for 2-(1,3-thiazol-2-ylmethylamino)acetaldehyde?
The canonical SMILES for 2-(1,3-thiazol-2-ylmethylamino)acetaldehyde is O=CCNCc1nccs1.
What is the InChIKey of 2-(1,3-thiazol-2-ylmethylamino)acetaldehyde?
The InChIKey is QGVHDUSLLYUEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2OS/c9-3-1-7-5-6-8-2-4-10-6/h2-4,7H,1,5H2.
What are the key properties of 2-(1,3-thiazol-2-ylmethylamino)acetaldehyde?
2-(1,3-thiazol-2-ylmethylamino)acetaldehyde has a molecular weight of 156.21 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-2-ylmethylamino)acetaldehyde is sourced from PubChem (CID 89275790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).