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

C17H22N2OS — CID 63514433

IUPAC4-tert-butyl-2-(4-ethyl-N-methylanilino)-1,3-thiazole-5-carbaldehyde
SMILESCCc1ccc(N(C)c2nc(C(C)(C)C)c(C=O)s2)cc1
InChIInChI=1S/C17H22N2OS/c1-6-12-7-9-13(10-8-12)19(5)16-18-15(17(2,3)4)14(11-20)21-16/h7-11H,6H2,1-5H3
InChIKeyADQBCLSUNZBYAH-UHFFFAOYSA-N
MW302.44 g/mol
LogP4.58
Rot. Bonds4

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

4-tert-butyl-2-(4-ethyl-N-methylanilino)-1,3-thiazole-5-carbaldehyde (PubChem CID 63514433) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 4-tert-butyl-2-(4-ethyl-N-methylanilino)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-tert-butyl-2-(4-ethyl-N-methylanilino)-1,3-thiazole-5-carbaldehyde
PubChem CID63514433
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name4-tert-butyl-2-(4-ethyl-N-methylanilino)-1,3-thiazole-5-carbaldehyde
SMILESCCc1ccc(N(C)c2nc(C(C)(C)C)c(C=O)s2)cc1
InChIInChI=1S/C17H22N2OS/c1-6-12-7-9-13(10-8-12)19(5)16-18-15(17(2,3)4)14(11-20)21-16/h7-11H,6H2,1-5H3
InChIKeyADQBCLSUNZBYAH-UHFFFAOYSA-N
XLogP4.58
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 54.58
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-tert-butyl-2-(4-ethyl-N-methylanilino)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-tert-butyl-2-(4-ethyl-N-methylanilino)-1,3-thiazole-5-carbaldehyde (CID 63514433) is 4-tert-butyl-2-(4-ethyl-N-methylanilino)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-tert-butyl-2-(4-ethyl-N-methylanilino)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-tert-butyl-2-(4-ethyl-N-methylanilino)-1,3-thiazole-5-carbaldehyde is CCc1ccc(N(C)c2nc(C(C)(C)C)c(C=O)s2)cc1.
What is the InChIKey of 4-tert-butyl-2-(4-ethyl-N-methylanilino)-1,3-thiazole-5-carbaldehyde?
The InChIKey is ADQBCLSUNZBYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-6-12-7-9-13(10-8-12)19(5)16-18-15(17(2,3)4)14(11-20)21-16/h7-11H,6H2,1-5H3.
What are the key properties of 4-tert-butyl-2-(4-ethyl-N-methylanilino)-1,3-thiazole-5-carbaldehyde?
4-tert-butyl-2-(4-ethyl-N-methylanilino)-1,3-thiazole-5-carbaldehyde has a molecular weight of 302.44 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(4-ethyl-N-methylanilino)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 63514433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).