2-[2-(4-propan-2-ylphenoxy)ethyl]-1,3-thiazole-4-carbaldehyde

C15H17NO2S — CID 82516493

IUPAC2-[2-(4-propan-2-ylphenoxy)ethyl]-1,3-thiazole-4-carbaldehyde
SMILESCC(C)c1ccc(OCCc2nc(C=O)cs2)cc1
InChIInChI=1S/C15H17NO2S/c1-11(2)12-3-5-14(6-4-12)18-8-7-15-16-13(9-17)10-19-15/h3-6,9-11H,7-8H2,1-2H3
InChIKeyZFFWOTQJNDHZLC-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.70
Rot. Bonds6

About 2-[2-(4-propan-2-ylphenoxy)ethyl]-1,3-thiazole-4-carbaldehyde

2-[2-(4-propan-2-ylphenoxy)ethyl]-1,3-thiazole-4-carbaldehyde (PubChem CID 82516493) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 2-[2-(4-propan-2-ylphenoxy)ethyl]-1,3-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name2-[2-(4-propan-2-ylphenoxy)ethyl]-1,3-thiazole-4-carbaldehyde
PubChem CID82516493
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name2-[2-(4-propan-2-ylphenoxy)ethyl]-1,3-thiazole-4-carbaldehyde
SMILESCC(C)c1ccc(OCCc2nc(C=O)cs2)cc1
InChIInChI=1S/C15H17NO2S/c1-11(2)12-3-5-14(6-4-12)18-8-7-15-16-13(9-17)10-19-15/h3-6,9-11H,7-8H2,1-2H3
InChIKeyZFFWOTQJNDHZLC-UHFFFAOYSA-N
XLogP3.70
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-(4-propan-2-ylphenoxy)ethyl]-1,3-thiazole-4-carbaldehyde with MolForge

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

Launch Full Analysis

Related Compounds

(E)-3-[2-[2-(4-chlorophenoxy)ethyl]-1,3-thiazol-4-yl]prop-2-enoic acid
CID 82516273
(E)-3-[2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-4-yl]prop-2-enoic acid
CID 82516312
2-(2-aminoethyl)-N-[2-(4-propan-2-ylphenoxy)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120623855
2-[4-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carbaldehyde
CID 82516005
3-[2-(4-propan-2-ylphenoxy)ethyl]thiophene
CID 64763301
[4-ethyl-2-[2-(4-propan-2-ylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine
CID 82429771
[2-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-thiazol-4-yl]methanamine
CID 82104681
2-[2-[2-(4-propan-2-ylphenoxy)ethyl]-1,3-thiazol-5-yl]propan-2-amine
CID 82191095
2-[2-(4-propan-2-ylphenoxy)ethyl]-1,3-thiazole-5-carbohydrazide
CID 82423832
[2-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-thiazol-4-yl]methanethiol
CID 82516432
2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,3-thiazole-4-carbaldehyde
CID 82516152
N-[[2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 82193942

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-propan-2-ylphenoxy)ethyl]-1,3-thiazole-4-carbaldehyde?
The IUPAC name of 2-[2-(4-propan-2-ylphenoxy)ethyl]-1,3-thiazole-4-carbaldehyde (CID 82516493) is 2-[2-(4-propan-2-ylphenoxy)ethyl]-1,3-thiazole-4-carbaldehyde.
What is the SMILES notation for 2-[2-(4-propan-2-ylphenoxy)ethyl]-1,3-thiazole-4-carbaldehyde?
The canonical SMILES for 2-[2-(4-propan-2-ylphenoxy)ethyl]-1,3-thiazole-4-carbaldehyde is CC(C)c1ccc(OCCc2nc(C=O)cs2)cc1.
What is the InChIKey of 2-[2-(4-propan-2-ylphenoxy)ethyl]-1,3-thiazole-4-carbaldehyde?
The InChIKey is ZFFWOTQJNDHZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-11(2)12-3-5-14(6-4-12)18-8-7-15-16-13(9-17)10-19-15/h3-6,9-11H,7-8H2,1-2H3.
What are the key properties of 2-[2-(4-propan-2-ylphenoxy)ethyl]-1,3-thiazole-4-carbaldehyde?
2-[2-(4-propan-2-ylphenoxy)ethyl]-1,3-thiazole-4-carbaldehyde has a molecular weight of 275.37 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-propan-2-ylphenoxy)ethyl]-1,3-thiazole-4-carbaldehyde is sourced from PubChem (CID 82516493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).