2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,3-thiazole-4-carbaldehyde

C15H17NO2S — CID 82516152

IUPAC2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,3-thiazole-4-carbaldehyde
SMILESCc1ccc(C(C)C)c(OCc2nc(C=O)cs2)c1
InChIInChI=1S/C15H17NO2S/c1-10(2)13-5-4-11(3)6-14(13)18-8-15-16-12(7-17)9-19-15/h4-7,9-10H,8H2,1-3H3
InChIKeyBKZUGDXUJKAPHH-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.97
Rot. Bonds5

About 2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,3-thiazole-4-carbaldehyde

2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,3-thiazole-4-carbaldehyde (PubChem CID 82516152) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,3-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,3-thiazole-4-carbaldehyde
PubChem CID82516152
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,3-thiazole-4-carbaldehyde
SMILESCc1ccc(C(C)C)c(OCc2nc(C=O)cs2)c1
InChIInChI=1S/C15H17NO2S/c1-10(2)13-5-4-11(3)6-14(13)18-8-15-16-12(7-17)9-19-15/h4-7,9-10H,8H2,1-3H3
InChIKeyBKZUGDXUJKAPHH-UHFFFAOYSA-N
XLogP3.97
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,3-thiazole-4-carbonitrile
CID 82516153
2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,3-thiazole-4-carbothioamide
CID 82516151
N-[3-[(4-bromobenzoyl)amino]propyl]-2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 46106312
5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80610433
2-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-1,3-thiazole-4-carbonitrile
CID 82516172
2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-N-[4-(3-phenylpropanoylamino)cyclohexyl]-1,3-thiazole-4-carboxamide
CID 46106317
(1R)-1-[4-methyl-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 63649933
[2-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methanamine
CID 22688609
[4-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methanamine
CID 22688691
[4-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methanol
CID 115969368
(1R)-1-[4-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
CID 55245155
2-[2-(4-propan-2-ylphenoxy)ethyl]-1,3-thiazole-4-carbaldehyde
CID 82516493

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,3-thiazole-4-carbaldehyde?
The IUPAC name of 2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,3-thiazole-4-carbaldehyde (CID 82516152) is 2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,3-thiazole-4-carbaldehyde.
What is the SMILES notation for 2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,3-thiazole-4-carbaldehyde?
The canonical SMILES for 2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,3-thiazole-4-carbaldehyde is Cc1ccc(C(C)C)c(OCc2nc(C=O)cs2)c1.
What is the InChIKey of 2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,3-thiazole-4-carbaldehyde?
The InChIKey is BKZUGDXUJKAPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-10(2)13-5-4-11(3)6-14(13)18-8-15-16-12(7-17)9-19-15/h4-7,9-10H,8H2,1-3H3.
What are the key properties of 2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,3-thiazole-4-carbaldehyde?
2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,3-thiazole-4-carbaldehyde has a molecular weight of 275.37 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,3-thiazole-4-carbaldehyde is sourced from PubChem (CID 82516152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).