2-(N-ethyl-4-methylanilino)-4-propyl-1,3-thiazole-5-carbaldehyde

C16H20N2OS — CID 63513910

IUPAC2-(N-ethyl-4-methylanilino)-4-propyl-1,3-thiazole-5-carbaldehyde
SMILESCCCc1nc(N(CC)c2ccc(C)cc2)sc1C=O
InChIInChI=1S/C16H20N2OS/c1-4-6-14-15(11-19)20-16(17-14)18(5-2)13-9-7-12(3)8-10-13/h7-11H,4-6H2,1-3H3
InChIKeyJTZIWOSJBFQNEH-UHFFFAOYSA-N
MW288.42 g/mol
LogP4.37
Rot. Bonds6

About 2-(N-ethyl-4-methylanilino)-4-propyl-1,3-thiazole-5-carbaldehyde

2-(N-ethyl-4-methylanilino)-4-propyl-1,3-thiazole-5-carbaldehyde (PubChem CID 63513910) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 2-(N-ethyl-4-methylanilino)-4-propyl-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(N-ethyl-4-methylanilino)-4-propyl-1,3-thiazole-5-carbaldehyde
PubChem CID63513910
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name2-(N-ethyl-4-methylanilino)-4-propyl-1,3-thiazole-5-carbaldehyde
SMILESCCCc1nc(N(CC)c2ccc(C)cc2)sc1C=O
InChIInChI=1S/C16H20N2OS/c1-4-6-14-15(11-19)20-16(17-14)18(5-2)13-9-7-12(3)8-10-13/h7-11H,4-6H2,1-3H3
InChIKeyJTZIWOSJBFQNEH-UHFFFAOYSA-N
XLogP4.37
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(N-ethyl-4-methylanilino)-4-propyl-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 2-(N-ethyl-4-methylanilino)-4-propyl-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-(N-ethyl-4-methylanilino)-4-propyl-1,3-thiazole-5-carbaldehyde (CID 63513910) is 2-(N-ethyl-4-methylanilino)-4-propyl-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-(N-ethyl-4-methylanilino)-4-propyl-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-(N-ethyl-4-methylanilino)-4-propyl-1,3-thiazole-5-carbaldehyde is CCCc1nc(N(CC)c2ccc(C)cc2)sc1C=O.
What is the InChIKey of 2-(N-ethyl-4-methylanilino)-4-propyl-1,3-thiazole-5-carbaldehyde?
The InChIKey is JTZIWOSJBFQNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-4-6-14-15(11-19)20-16(17-14)18(5-2)13-9-7-12(3)8-10-13/h7-11H,4-6H2,1-3H3.
What are the key properties of 2-(N-ethyl-4-methylanilino)-4-propyl-1,3-thiazole-5-carbaldehyde?
2-(N-ethyl-4-methylanilino)-4-propyl-1,3-thiazole-5-carbaldehyde has a molecular weight of 288.42 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethyl-4-methylanilino)-4-propyl-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 63513910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).