2-(trifluoromethyl)-5-[2-tri(propan-2-yl)silyloxyethyl]-1,3-thiazole-4-carbaldehyde

C16H26F3NO2SSi — CID 131745395

IUPAC2-(trifluoromethyl)-5-[2-tri(propan-2-yl)silyloxyethyl]-1,3-thiazole-4-carbaldehyde
SMILESCC(C)[Si](OCCc1sc(C(F)(F)F)nc1C=O)(C(C)C)C(C)C
InChIInChI=1S/C16H26F3NO2SSi/c1-10(2)24(11(3)4,12(5)6)22-8-7-14-13(9-21)20-15(23-14)16(17,18)19/h9-12H,7-8H2,1-6H3
InChIKeyWJKOIVFAKXQTCF-UHFFFAOYSA-N
MW381.54 g/mol
LogP5.71
Rot. Bonds8

About 2-(trifluoromethyl)-5-[2-tri(propan-2-yl)silyloxyethyl]-1,3-thiazole-4-carbaldehyde

2-(trifluoromethyl)-5-[2-tri(propan-2-yl)silyloxyethyl]-1,3-thiazole-4-carbaldehyde (PubChem CID 131745395) has the molecular formula C16H26F3NO2SSi and a molecular weight of 381.54 g/mol. Its IUPAC name is 2-(trifluoromethyl)-5-[2-tri(propan-2-yl)silyloxyethyl]-1,3-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name2-(trifluoromethyl)-5-[2-tri(propan-2-yl)silyloxyethyl]-1,3-thiazole-4-carbaldehyde
PubChem CID131745395
Molecular FormulaC16H26F3NO2SSi
Molecular Weight381.54 g/mol
Exact Mass381.14
IUPAC Name2-(trifluoromethyl)-5-[2-tri(propan-2-yl)silyloxyethyl]-1,3-thiazole-4-carbaldehyde
SMILESCC(C)[Si](OCCc1sc(C(F)(F)F)nc1C=O)(C(C)C)C(C)C
InChIInChI=1S/C16H26F3NO2SSi/c1-10(2)24(11(3)4,12(5)6)22-8-7-14-13(9-21)20-15(23-14)16(17,18)19/h9-12H,7-8H2,1-6H3
InChIKeyWJKOIVFAKXQTCF-UHFFFAOYSA-N
XLogP5.71
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.54
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(2-Hydroxyethyl)-2-(trifluoromethyl)-1,3-thiazole-4-carbaldehyde
CID 129253744
5-Ethyl-2-(trifluoromethyl)-1,3-thiazole-4-carbaldehyde
CID 130296350
2-Methyl-5-[2-tri(propan-2-yl)silyloxyethyl]-1,3-thiazole-4-carbaldehyde
CID 158010504
5-[2-[Tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-1,3-thiazole-2-carbaldehyde
CID 71573831

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-5-[2-tri(propan-2-yl)silyloxyethyl]-1,3-thiazole-4-carbaldehyde?
The IUPAC name of 2-(trifluoromethyl)-5-[2-tri(propan-2-yl)silyloxyethyl]-1,3-thiazole-4-carbaldehyde (CID 131745395) is 2-(trifluoromethyl)-5-[2-tri(propan-2-yl)silyloxyethyl]-1,3-thiazole-4-carbaldehyde.
What is the SMILES notation for 2-(trifluoromethyl)-5-[2-tri(propan-2-yl)silyloxyethyl]-1,3-thiazole-4-carbaldehyde?
The canonical SMILES for 2-(trifluoromethyl)-5-[2-tri(propan-2-yl)silyloxyethyl]-1,3-thiazole-4-carbaldehyde is CC(C)[Si](OCCc1sc(C(F)(F)F)nc1C=O)(C(C)C)C(C)C.
What is the InChIKey of 2-(trifluoromethyl)-5-[2-tri(propan-2-yl)silyloxyethyl]-1,3-thiazole-4-carbaldehyde?
The InChIKey is WJKOIVFAKXQTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F3NO2SSi/c1-10(2)24(11(3)4,12(5)6)22-8-7-14-13(9-21)20-15(23-14)16(17,18)19/h9-12H,7-8H2,1-6H3.
What are the key properties of 2-(trifluoromethyl)-5-[2-tri(propan-2-yl)silyloxyethyl]-1,3-thiazole-4-carbaldehyde?
2-(trifluoromethyl)-5-[2-tri(propan-2-yl)silyloxyethyl]-1,3-thiazole-4-carbaldehyde has a molecular weight of 381.54 g/mol, XLogP of 5.71, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-5-[2-tri(propan-2-yl)silyloxyethyl]-1,3-thiazole-4-carbaldehyde is sourced from PubChem (CID 131745395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).