2-anilino-1,3-thiazole-4-carbaldehyde

C10H8N2OS — CID 15053570

IUPAC2-anilino-1,3-thiazole-4-carbaldehyde
SMILESO=Cc1csc(Nc2ccccc2)n1
InChIInChI=1S/C10H8N2OS/c13-6-9-7-14-10(12-9)11-8-4-2-1-3-5-8/h1-7H,(H,11,12)
InChIKeyNOSAHOXGZGOQDO-UHFFFAOYSA-N
MW204.25 g/mol
LogP2.70
Rot. Bonds3

About 2-anilino-1,3-thiazole-4-carbaldehyde

2-anilino-1,3-thiazole-4-carbaldehyde (PubChem CID 15053570) has the molecular formula C10H8N2OS and a molecular weight of 204.25 g/mol. Its IUPAC name is 2-anilino-1,3-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name2-anilino-1,3-thiazole-4-carbaldehyde
PubChem CID15053570
Molecular FormulaC10H8N2OS
Molecular Weight204.25 g/mol
Exact Mass204.04
IUPAC Name2-anilino-1,3-thiazole-4-carbaldehyde
SMILESO=Cc1csc(Nc2ccccc2)n1
InChIInChI=1S/C10H8N2OS/c13-6-9-7-14-10(12-9)11-8-4-2-1-3-5-8/h1-7H,(H,11,12)
InChIKeyNOSAHOXGZGOQDO-UHFFFAOYSA-N
XLogP2.70
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 52.70
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-anilino-1,3-thiazole-4-carbaldehyde?
The IUPAC name of 2-anilino-1,3-thiazole-4-carbaldehyde (CID 15053570) is 2-anilino-1,3-thiazole-4-carbaldehyde.
What is the SMILES notation for 2-anilino-1,3-thiazole-4-carbaldehyde?
The canonical SMILES for 2-anilino-1,3-thiazole-4-carbaldehyde is O=Cc1csc(Nc2ccccc2)n1.
What is the InChIKey of 2-anilino-1,3-thiazole-4-carbaldehyde?
The InChIKey is NOSAHOXGZGOQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2OS/c13-6-9-7-14-10(12-9)11-8-4-2-1-3-5-8/h1-7H,(H,11,12).
What are the key properties of 2-anilino-1,3-thiazole-4-carbaldehyde?
2-anilino-1,3-thiazole-4-carbaldehyde has a molecular weight of 204.25 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-1,3-thiazole-4-carbaldehyde is sourced from PubChem (CID 15053570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).