2-(4-tert-butylphenyl)-1,3-thiazole-4-carbaldehyde

C14H15NOS — CID 60998486

IUPAC2-(4-tert-butylphenyl)-1,3-thiazole-4-carbaldehyde
SMILESCC(C)(C)c1ccc(-c2nc(C=O)cs2)cc1
InChIInChI=1S/C14H15NOS/c1-14(2,3)11-6-4-10(5-7-11)13-15-12(8-16)9-17-13/h4-9H,1-3H3
InChIKeyRZWFSZVMSLRRTR-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.92
Rot. Bonds2

About 2-(4-tert-butylphenyl)-1,3-thiazole-4-carbaldehyde

2-(4-tert-butylphenyl)-1,3-thiazole-4-carbaldehyde (PubChem CID 60998486) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-1,3-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-1,3-thiazole-4-carbaldehyde
PubChem CID60998486
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Name2-(4-tert-butylphenyl)-1,3-thiazole-4-carbaldehyde
SMILESCC(C)(C)c1ccc(-c2nc(C=O)cs2)cc1
InChIInChI=1S/C14H15NOS/c1-14(2,3)11-6-4-10(5-7-11)13-15-12(8-16)9-17-13/h4-9H,1-3H3
InChIKeyRZWFSZVMSLRRTR-UHFFFAOYSA-N
XLogP3.92
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(4-tert-butylphenyl)-1,3-thiazole-4-carbaldehyde?
The IUPAC name of 2-(4-tert-butylphenyl)-1,3-thiazole-4-carbaldehyde (CID 60998486) is 2-(4-tert-butylphenyl)-1,3-thiazole-4-carbaldehyde.
What is the SMILES notation for 2-(4-tert-butylphenyl)-1,3-thiazole-4-carbaldehyde?
The canonical SMILES for 2-(4-tert-butylphenyl)-1,3-thiazole-4-carbaldehyde is CC(C)(C)c1ccc(-c2nc(C=O)cs2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-1,3-thiazole-4-carbaldehyde?
The InChIKey is RZWFSZVMSLRRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c1-14(2,3)11-6-4-10(5-7-11)13-15-12(8-16)9-17-13/h4-9H,1-3H3.
What are the key properties of 2-(4-tert-butylphenyl)-1,3-thiazole-4-carbaldehyde?
2-(4-tert-butylphenyl)-1,3-thiazole-4-carbaldehyde has a molecular weight of 245.35 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-1,3-thiazole-4-carbaldehyde is sourced from PubChem (CID 60998486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).