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

C15H17NOS — CID 89093505

IUPAC2-(4-methylphenyl)-5-(2-methylpropyl)-1,3-thiazole-4-carbaldehyde
SMILESCc1ccc(-c2nc(C=O)c(CC(C)C)s2)cc1
InChIInChI=1S/C15H17NOS/c1-10(2)8-14-13(9-17)16-15(18-14)12-6-4-11(3)5-7-12/h4-7,9-10H,8H2,1-3H3
InChIKeyGSYRHLVRTAUDNT-UHFFFAOYSA-N
MW259.37 g/mol
LogP4.13
Rot. Bonds4

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

2-(4-methylphenyl)-5-(2-methylpropyl)-1,3-thiazole-4-carbaldehyde (PubChem CID 89093505) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is 2-(4-methylphenyl)-5-(2-methylpropyl)-1,3-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name2-(4-methylphenyl)-5-(2-methylpropyl)-1,3-thiazole-4-carbaldehyde
PubChem CID89093505
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name2-(4-methylphenyl)-5-(2-methylpropyl)-1,3-thiazole-4-carbaldehyde
SMILESCc1ccc(-c2nc(C=O)c(CC(C)C)s2)cc1
InChIInChI=1S/C15H17NOS/c1-10(2)8-14-13(9-17)16-15(18-14)12-6-4-11(3)5-7-12/h4-7,9-10H,8H2,1-3H3
InChIKeyGSYRHLVRTAUDNT-UHFFFAOYSA-N
XLogP4.13
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 54.13
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-methylphenyl)-5-(2-methylpropyl)-1,3-thiazole-4-carbaldehyde?
The IUPAC name of 2-(4-methylphenyl)-5-(2-methylpropyl)-1,3-thiazole-4-carbaldehyde (CID 89093505) is 2-(4-methylphenyl)-5-(2-methylpropyl)-1,3-thiazole-4-carbaldehyde.
What is the SMILES notation for 2-(4-methylphenyl)-5-(2-methylpropyl)-1,3-thiazole-4-carbaldehyde?
The canonical SMILES for 2-(4-methylphenyl)-5-(2-methylpropyl)-1,3-thiazole-4-carbaldehyde is Cc1ccc(-c2nc(C=O)c(CC(C)C)s2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-5-(2-methylpropyl)-1,3-thiazole-4-carbaldehyde?
The InChIKey is GSYRHLVRTAUDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-10(2)8-14-13(9-17)16-15(18-14)12-6-4-11(3)5-7-12/h4-7,9-10H,8H2,1-3H3.
What are the key properties of 2-(4-methylphenyl)-5-(2-methylpropyl)-1,3-thiazole-4-carbaldehyde?
2-(4-methylphenyl)-5-(2-methylpropyl)-1,3-thiazole-4-carbaldehyde has a molecular weight of 259.37 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-5-(2-methylpropyl)-1,3-thiazole-4-carbaldehyde is sourced from PubChem (CID 89093505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).