2-(ethylamino)-1,3-thiazole-5-carbaldehyde

C6H8N2OS — CID 82416119

IUPAC2-(ethylamino)-1,3-thiazole-5-carbaldehyde
SMILESCCNc1ncc(C=O)s1
InChIInChI=1S/C6H8N2OS/c1-2-7-6-8-3-5(4-9)10-6/h3-4H,2H2,1H3,(H,7,8)
InChIKeyFGVAOWFNUPSSTQ-UHFFFAOYSA-N
MW156.21 g/mol
LogP1.39
Rot. Bonds3

About 2-(ethylamino)-1,3-thiazole-5-carbaldehyde

2-(ethylamino)-1,3-thiazole-5-carbaldehyde (PubChem CID 82416119) has the molecular formula C6H8N2OS and a molecular weight of 156.21 g/mol. Its IUPAC name is 2-(ethylamino)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(ethylamino)-1,3-thiazole-5-carbaldehyde
PubChem CID82416119
Molecular FormulaC6H8N2OS
Molecular Weight156.21 g/mol
Exact Mass156.04
IUPAC Name2-(ethylamino)-1,3-thiazole-5-carbaldehyde
SMILESCCNc1ncc(C=O)s1
InChIInChI=1S/C6H8N2OS/c1-2-7-6-8-3-5(4-9)10-6/h3-4H,2H2,1H3,(H,7,8)
InChIKeyFGVAOWFNUPSSTQ-UHFFFAOYSA-N
XLogP1.39
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 ≤ 51.39
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-(ethylamino)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-(ethylamino)-1,3-thiazole-5-carbaldehyde (CID 82416119) is 2-(ethylamino)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-(ethylamino)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-(ethylamino)-1,3-thiazole-5-carbaldehyde is CCNc1ncc(C=O)s1.
What is the InChIKey of 2-(ethylamino)-1,3-thiazole-5-carbaldehyde?
The InChIKey is FGVAOWFNUPSSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2OS/c1-2-7-6-8-3-5(4-9)10-6/h3-4H,2H2,1H3,(H,7,8).
What are the key properties of 2-(ethylamino)-1,3-thiazole-5-carbaldehyde?
2-(ethylamino)-1,3-thiazole-5-carbaldehyde has a molecular weight of 156.21 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 82416119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).