2-(3-aminophenyl)-1,3-thiazole-4-carbaldehyde

C10H8N2OS — CID 45480208

IUPAC2-(3-aminophenyl)-1,3-thiazole-4-carbaldehyde
SMILESNc1cccc(-c2nc(C=O)cs2)c1
InChIInChI=1S/C10H8N2OS/c11-8-3-1-2-7(4-8)10-12-9(5-13)6-14-10/h1-6H,11H2
InChIKeyWUNYYDGWNXLCCC-UHFFFAOYSA-N
MW204.25 g/mol
LogP2.20
Rot. Bonds2

About 2-(3-aminophenyl)-1,3-thiazole-4-carbaldehyde

2-(3-aminophenyl)-1,3-thiazole-4-carbaldehyde (PubChem CID 45480208) has the molecular formula C10H8N2OS and a molecular weight of 204.25 g/mol. Its IUPAC name is 2-(3-aminophenyl)-1,3-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name2-(3-aminophenyl)-1,3-thiazole-4-carbaldehyde
PubChem CID45480208
Molecular FormulaC10H8N2OS
Molecular Weight204.25 g/mol
Exact Mass204.04
IUPAC Name2-(3-aminophenyl)-1,3-thiazole-4-carbaldehyde
SMILESNc1cccc(-c2nc(C=O)cs2)c1
InChIInChI=1S/C10H8N2OS/c11-8-3-1-2-7(4-8)10-12-9(5-13)6-14-10/h1-6H,11H2
InChIKeyWUNYYDGWNXLCCC-UHFFFAOYSA-N
XLogP2.20
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-1,3-thiazole-4-carbaldehyde?
The IUPAC name of 2-(3-aminophenyl)-1,3-thiazole-4-carbaldehyde (CID 45480208) is 2-(3-aminophenyl)-1,3-thiazole-4-carbaldehyde.
What is the SMILES notation for 2-(3-aminophenyl)-1,3-thiazole-4-carbaldehyde?
The canonical SMILES for 2-(3-aminophenyl)-1,3-thiazole-4-carbaldehyde is Nc1cccc(-c2nc(C=O)cs2)c1.
What is the InChIKey of 2-(3-aminophenyl)-1,3-thiazole-4-carbaldehyde?
The InChIKey is WUNYYDGWNXLCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2OS/c11-8-3-1-2-7(4-8)10-12-9(5-13)6-14-10/h1-6H,11H2.
What are the key properties of 2-(3-aminophenyl)-1,3-thiazole-4-carbaldehyde?
2-(3-aminophenyl)-1,3-thiazole-4-carbaldehyde has a molecular weight of 204.25 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-1,3-thiazole-4-carbaldehyde is sourced from PubChem (CID 45480208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).