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

C8H12N2OS — CID 2785412

IUPAC2-(diethylamino)-1,3-thiazole-5-carbaldehyde
SMILESCCN(CC)c1ncc(C=O)s1
InChIInChI=1S/C8H12N2OS/c1-3-10(4-2)8-9-5-7(6-11)12-8/h5-6H,3-4H2,1-2H3
InChIKeyKMNXYBHVYDCCNC-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.80
Rot. Bonds4

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

2-(diethylamino)-1,3-thiazole-5-carbaldehyde (PubChem CID 2785412) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 2-(diethylamino)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(diethylamino)-1,3-thiazole-5-carbaldehyde
PubChem CID2785412
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name2-(diethylamino)-1,3-thiazole-5-carbaldehyde
SMILESCCN(CC)c1ncc(C=O)s1
InChIInChI=1S/C8H12N2OS/c1-3-10(4-2)8-9-5-7(6-11)12-8/h5-6H,3-4H2,1-2H3
InChIKeyKMNXYBHVYDCCNC-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
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-(diethylamino)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-(diethylamino)-1,3-thiazole-5-carbaldehyde (CID 2785412) is 2-(diethylamino)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-(diethylamino)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-(diethylamino)-1,3-thiazole-5-carbaldehyde is CCN(CC)c1ncc(C=O)s1.
What is the InChIKey of 2-(diethylamino)-1,3-thiazole-5-carbaldehyde?
The InChIKey is KMNXYBHVYDCCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-3-10(4-2)8-9-5-7(6-11)12-8/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-(diethylamino)-1,3-thiazole-5-carbaldehyde?
2-(diethylamino)-1,3-thiazole-5-carbaldehyde has a molecular weight of 184.26 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 2785412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).