2-[4-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carbaldehyde

C14H15NO2S — CID 82516005

IUPAC2-[4-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carbaldehyde
SMILESCC(C)COc1ccc(-c2nc(C=O)cs2)cc1
InChIInChI=1S/C14H15NO2S/c1-10(2)8-17-13-5-3-11(4-6-13)14-15-12(7-16)9-18-14/h3-7,9-10H,8H2,1-2H3
InChIKeyFFPHOTFDGVBAJA-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.66
Rot. Bonds5

About 2-[4-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carbaldehyde

2-[4-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carbaldehyde (PubChem CID 82516005) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-[4-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name2-[4-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carbaldehyde
PubChem CID82516005
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name2-[4-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carbaldehyde
SMILESCC(C)COc1ccc(-c2nc(C=O)cs2)cc1
InChIInChI=1S/C14H15NO2S/c1-10(2)8-17-13-5-3-11(4-6-13)14-15-12(7-16)9-18-14/h3-7,9-10H,8H2,1-2H3
InChIKeyFFPHOTFDGVBAJA-UHFFFAOYSA-N
XLogP3.66
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.66
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-[4-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carbohydrazide
CID 82515992
2-[4-(methoxyamino)phenyl]-1,3-thiazole-4-carbaldehyde
CID 176659494
N-methyl-2-[4-(2-methylpropoxy)phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 46067949
2-(4-tert-butylphenyl)-1,3-thiazole-4-carbaldehyde
CID 60998486
2-[4-(2-methylpropoxy)phenyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide
CID 46066049
2-(4-chlorophenyl)-1,3-thiazole-4-carbaldehyde
CID 2115215
ethane;4-(2-methylpropoxy)benzaldehyde
CID 143325995
2-(3-methoxyphenyl)-1,3-thiazole-4-carbaldehyde
CID 2117534
2-(2-ethyl-4-pyridinyl)-1,3-thiazole-4-carbaldehyde
CID 91664700
2-[4-(2-methylpropoxy)phenyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 42865899
4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]benzaldehyde
CID 10520099
2-[2-(4-propan-2-ylphenoxy)ethyl]-1,3-thiazole-4-carbaldehyde
CID 82516493

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carbaldehyde?
The IUPAC name of 2-[4-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carbaldehyde (CID 82516005) is 2-[4-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carbaldehyde.
What is the SMILES notation for 2-[4-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carbaldehyde?
The canonical SMILES for 2-[4-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carbaldehyde is CC(C)COc1ccc(-c2nc(C=O)cs2)cc1.
What is the InChIKey of 2-[4-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carbaldehyde?
The InChIKey is FFPHOTFDGVBAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-10(2)8-17-13-5-3-11(4-6-13)14-15-12(7-16)9-18-14/h3-7,9-10H,8H2,1-2H3.
What are the key properties of 2-[4-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carbaldehyde?
2-[4-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carbaldehyde has a molecular weight of 261.35 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carbaldehyde is sourced from PubChem (CID 82516005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).