2-(2-methoxypropan-2-yl)-1,3-thiazole-4-carbaldehyde

C8H11NO2S — CID 58221500

IUPAC2-(2-methoxypropan-2-yl)-1,3-thiazole-4-carbaldehyde
SMILESCOC(C)(C)c1nc(C=O)cs1
InChIInChI=1S/C8H11NO2S/c1-8(2,11-3)7-9-6(4-10)5-12-7/h4-5H,1-3H3
InChIKeyPJLHAFMBOCMLSX-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.84
Rot. Bonds3

About 2-(2-methoxypropan-2-yl)-1,3-thiazole-4-carbaldehyde

2-(2-methoxypropan-2-yl)-1,3-thiazole-4-carbaldehyde (PubChem CID 58221500) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is 2-(2-methoxypropan-2-yl)-1,3-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name2-(2-methoxypropan-2-yl)-1,3-thiazole-4-carbaldehyde
PubChem CID58221500
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Name2-(2-methoxypropan-2-yl)-1,3-thiazole-4-carbaldehyde
SMILESCOC(C)(C)c1nc(C=O)cs1
InChIInChI=1S/C8H11NO2S/c1-8(2,11-3)7-9-6(4-10)5-12-7/h4-5H,1-3H3
InChIKeyPJLHAFMBOCMLSX-UHFFFAOYSA-N
XLogP1.84
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.84
H-Bond Donors ≤ 50
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-methoxypropan-2-yl)-1,3-thiazole-4-carbaldehyde?
The IUPAC name of 2-(2-methoxypropan-2-yl)-1,3-thiazole-4-carbaldehyde (CID 58221500) is 2-(2-methoxypropan-2-yl)-1,3-thiazole-4-carbaldehyde.
What is the SMILES notation for 2-(2-methoxypropan-2-yl)-1,3-thiazole-4-carbaldehyde?
The canonical SMILES for 2-(2-methoxypropan-2-yl)-1,3-thiazole-4-carbaldehyde is COC(C)(C)c1nc(C=O)cs1.
What is the InChIKey of 2-(2-methoxypropan-2-yl)-1,3-thiazole-4-carbaldehyde?
The InChIKey is PJLHAFMBOCMLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c1-8(2,11-3)7-9-6(4-10)5-12-7/h4-5H,1-3H3.
What are the key properties of 2-(2-methoxypropan-2-yl)-1,3-thiazole-4-carbaldehyde?
2-(2-methoxypropan-2-yl)-1,3-thiazole-4-carbaldehyde has a molecular weight of 185.25 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxypropan-2-yl)-1,3-thiazole-4-carbaldehyde is sourced from PubChem (CID 58221500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).