2-(2-hydroxyphenyl)-5-(2-methylpropyl)-1,3-thiazole-4-carbaldehyde

C14H15NO2S — CID 136596819

IUPAC2-(2-hydroxyphenyl)-5-(2-methylpropyl)-1,3-thiazole-4-carbaldehyde
SMILESCC(C)Cc1sc(-c2ccccc2O)nc1C=O
InChIInChI=1S/C14H15NO2S/c1-9(2)7-13-11(8-16)15-14(18-13)10-5-3-4-6-12(10)17/h3-6,8-9,17H,7H2,1-2H3
InChIKeyPIAYCOPZECBZNB-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.53
Rot. Bonds4

About 2-(2-hydroxyphenyl)-5-(2-methylpropyl)-1,3-thiazole-4-carbaldehyde

2-(2-hydroxyphenyl)-5-(2-methylpropyl)-1,3-thiazole-4-carbaldehyde (PubChem CID 136596819) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-5-(2-methylpropyl)-1,3-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-5-(2-methylpropyl)-1,3-thiazole-4-carbaldehyde
PubChem CID136596819
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name2-(2-hydroxyphenyl)-5-(2-methylpropyl)-1,3-thiazole-4-carbaldehyde
SMILESCC(C)Cc1sc(-c2ccccc2O)nc1C=O
InChIInChI=1S/C14H15NO2S/c1-9(2)7-13-11(8-16)15-14(18-13)10-5-3-4-6-12(10)17/h3-6,8-9,17H,7H2,1-2H3
InChIKeyPIAYCOPZECBZNB-UHFFFAOYSA-N
XLogP3.53
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.53
H-Bond Donors ≤ 51
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 2-(2-hydroxyphenyl)-5-(2-methylpropyl)-1,3-thiazole-4-carbaldehyde?
The IUPAC name of 2-(2-hydroxyphenyl)-5-(2-methylpropyl)-1,3-thiazole-4-carbaldehyde (CID 136596819) is 2-(2-hydroxyphenyl)-5-(2-methylpropyl)-1,3-thiazole-4-carbaldehyde.
What is the SMILES notation for 2-(2-hydroxyphenyl)-5-(2-methylpropyl)-1,3-thiazole-4-carbaldehyde?
The canonical SMILES for 2-(2-hydroxyphenyl)-5-(2-methylpropyl)-1,3-thiazole-4-carbaldehyde is CC(C)Cc1sc(-c2ccccc2O)nc1C=O.
What is the InChIKey of 2-(2-hydroxyphenyl)-5-(2-methylpropyl)-1,3-thiazole-4-carbaldehyde?
The InChIKey is PIAYCOPZECBZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-9(2)7-13-11(8-16)15-14(18-13)10-5-3-4-6-12(10)17/h3-6,8-9,17H,7H2,1-2H3.
What are the key properties of 2-(2-hydroxyphenyl)-5-(2-methylpropyl)-1,3-thiazole-4-carbaldehyde?
2-(2-hydroxyphenyl)-5-(2-methylpropyl)-1,3-thiazole-4-carbaldehyde has a molecular weight of 261.35 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-5-(2-methylpropyl)-1,3-thiazole-4-carbaldehyde is sourced from PubChem (CID 136596819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).