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

C15H18N2OS — CID 55112890

IUPAC4-ethyl-2-(4-ethyl-N-methylanilino)-1,3-thiazole-5-carbaldehyde
SMILESCCc1ccc(N(C)c2nc(CC)c(C=O)s2)cc1
InChIInChI=1S/C15H18N2OS/c1-4-11-6-8-12(9-7-11)17(3)15-16-13(5-2)14(10-18)19-15/h6-10H,4-5H2,1-3H3
InChIKeyIBASPNCRNMCYRG-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.85
Rot. Bonds5

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

4-ethyl-2-(4-ethyl-N-methylanilino)-1,3-thiazole-5-carbaldehyde (PubChem CID 55112890) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 4-ethyl-2-(4-ethyl-N-methylanilino)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-ethyl-2-(4-ethyl-N-methylanilino)-1,3-thiazole-5-carbaldehyde
PubChem CID55112890
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name4-ethyl-2-(4-ethyl-N-methylanilino)-1,3-thiazole-5-carbaldehyde
SMILESCCc1ccc(N(C)c2nc(CC)c(C=O)s2)cc1
InChIInChI=1S/C15H18N2OS/c1-4-11-6-8-12(9-7-11)17(3)15-16-13(5-2)14(10-18)19-15/h6-10H,4-5H2,1-3H3
InChIKeyIBASPNCRNMCYRG-UHFFFAOYSA-N
XLogP3.85
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.85
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 4-ethyl-2-(4-ethyl-N-methylanilino)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-ethyl-2-(4-ethyl-N-methylanilino)-1,3-thiazole-5-carbaldehyde (CID 55112890) is 4-ethyl-2-(4-ethyl-N-methylanilino)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-ethyl-2-(4-ethyl-N-methylanilino)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-ethyl-2-(4-ethyl-N-methylanilino)-1,3-thiazole-5-carbaldehyde is CCc1ccc(N(C)c2nc(CC)c(C=O)s2)cc1.
What is the InChIKey of 4-ethyl-2-(4-ethyl-N-methylanilino)-1,3-thiazole-5-carbaldehyde?
The InChIKey is IBASPNCRNMCYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-4-11-6-8-12(9-7-11)17(3)15-16-13(5-2)14(10-18)19-15/h6-10H,4-5H2,1-3H3.
What are the key properties of 4-ethyl-2-(4-ethyl-N-methylanilino)-1,3-thiazole-5-carbaldehyde?
4-ethyl-2-(4-ethyl-N-methylanilino)-1,3-thiazole-5-carbaldehyde has a molecular weight of 274.39 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(4-ethyl-N-methylanilino)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 55112890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).