2-[2-(methylamino)-1,3-thiazol-5-yl]acetaldehyde

C6H8N2OS — CID 20648673

IUPAC2-[2-(methylamino)-1,3-thiazol-5-yl]acetaldehyde
SMILESCNc1ncc(CC=O)s1
InChIInChI=1S/C6H8N2OS/c1-7-6-8-4-5(10-6)2-3-9/h3-4H,2H2,1H3,(H,7,8)
InChIKeyTZFGSNCMWSSMSG-UHFFFAOYSA-N
MW156.21 g/mol
LogP0.93
Rot. Bonds3

About 2-[2-(methylamino)-1,3-thiazol-5-yl]acetaldehyde

2-[2-(methylamino)-1,3-thiazol-5-yl]acetaldehyde (PubChem CID 20648673) has the molecular formula C6H8N2OS and a molecular weight of 156.21 g/mol. Its IUPAC name is 2-[2-(methylamino)-1,3-thiazol-5-yl]acetaldehyde.

Molecular Properties

Compound Name2-[2-(methylamino)-1,3-thiazol-5-yl]acetaldehyde
PubChem CID20648673
Molecular FormulaC6H8N2OS
Molecular Weight156.21 g/mol
Exact Mass156.04
IUPAC Name2-[2-(methylamino)-1,3-thiazol-5-yl]acetaldehyde
SMILESCNc1ncc(CC=O)s1
InChIInChI=1S/C6H8N2OS/c1-7-6-8-4-5(10-6)2-3-9/h3-4H,2H2,1H3,(H,7,8)
InChIKeyTZFGSNCMWSSMSG-UHFFFAOYSA-N
XLogP0.93
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 50.93
H-Bond Donors ≤ 51
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-[2-(methylamino)-1,3-thiazol-5-yl]acetaldehyde?
The IUPAC name of 2-[2-(methylamino)-1,3-thiazol-5-yl]acetaldehyde (CID 20648673) is 2-[2-(methylamino)-1,3-thiazol-5-yl]acetaldehyde.
What is the SMILES notation for 2-[2-(methylamino)-1,3-thiazol-5-yl]acetaldehyde?
The canonical SMILES for 2-[2-(methylamino)-1,3-thiazol-5-yl]acetaldehyde is CNc1ncc(CC=O)s1.
What is the InChIKey of 2-[2-(methylamino)-1,3-thiazol-5-yl]acetaldehyde?
The InChIKey is TZFGSNCMWSSMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2OS/c1-7-6-8-4-5(10-6)2-3-9/h3-4H,2H2,1H3,(H,7,8).
What are the key properties of 2-[2-(methylamino)-1,3-thiazol-5-yl]acetaldehyde?
2-[2-(methylamino)-1,3-thiazol-5-yl]acetaldehyde has a molecular weight of 156.21 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylamino)-1,3-thiazol-5-yl]acetaldehyde is sourced from PubChem (CID 20648673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).