4-methyl-2-(N,2,4-trimethylanilino)-1,3-thiazole-5-carbaldehyde

C14H16N2OS — CID 62766091

IUPAC4-methyl-2-(N,2,4-trimethylanilino)-1,3-thiazole-5-carbaldehyde
SMILESCc1ccc(N(C)c2nc(C)c(C=O)s2)c(C)c1
InChIInChI=1S/C14H16N2OS/c1-9-5-6-12(10(2)7-9)16(4)14-15-11(3)13(8-17)18-14/h5-8H,1-4H3
InChIKeyHHRLOGRGFLTFLT-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.65
Rot. Bonds3

About 4-methyl-2-(N,2,4-trimethylanilino)-1,3-thiazole-5-carbaldehyde

4-methyl-2-(N,2,4-trimethylanilino)-1,3-thiazole-5-carbaldehyde (PubChem CID 62766091) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 4-methyl-2-(N,2,4-trimethylanilino)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-methyl-2-(N,2,4-trimethylanilino)-1,3-thiazole-5-carbaldehyde
PubChem CID62766091
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name4-methyl-2-(N,2,4-trimethylanilino)-1,3-thiazole-5-carbaldehyde
SMILESCc1ccc(N(C)c2nc(C)c(C=O)s2)c(C)c1
InChIInChI=1S/C14H16N2OS/c1-9-5-6-12(10(2)7-9)16(4)14-15-11(3)13(8-17)18-14/h5-8H,1-4H3
InChIKeyHHRLOGRGFLTFLT-UHFFFAOYSA-N
XLogP3.65
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-methyl-2-(N,2,4-trimethylanilino)-1,3-thiazole-5-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(N,2,4-trimethylanilino)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-methyl-2-(N,2,4-trimethylanilino)-1,3-thiazole-5-carbaldehyde (CID 62766091) is 4-methyl-2-(N,2,4-trimethylanilino)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-methyl-2-(N,2,4-trimethylanilino)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-methyl-2-(N,2,4-trimethylanilino)-1,3-thiazole-5-carbaldehyde is Cc1ccc(N(C)c2nc(C)c(C=O)s2)c(C)c1.
What is the InChIKey of 4-methyl-2-(N,2,4-trimethylanilino)-1,3-thiazole-5-carbaldehyde?
The InChIKey is HHRLOGRGFLTFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-9-5-6-12(10(2)7-9)16(4)14-15-11(3)13(8-17)18-14/h5-8H,1-4H3.
What are the key properties of 4-methyl-2-(N,2,4-trimethylanilino)-1,3-thiazole-5-carbaldehyde?
4-methyl-2-(N,2,4-trimethylanilino)-1,3-thiazole-5-carbaldehyde has a molecular weight of 260.36 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(N,2,4-trimethylanilino)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 62766091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).