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

C16H28F3NO2SSi — CID 131745394

IUPAC[2-(trifluoromethyl)-5-[2-tri(propan-2-yl)silyloxyethyl]-1,3-thiazol-4-yl]methanol
SMILESCC(C)[Si](OCCc1sc(C(F)(F)F)nc1CO)(C(C)C)C(C)C
InChIInChI=1S/C16H28F3NO2SSi/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/h10-12,21H,7-9H2,1-6H3
InChIKeyPBCWKNPEDLAKMQ-UHFFFAOYSA-N
MW383.55 g/mol
LogP5.39
Rot. Bonds8

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

[2-(trifluoromethyl)-5-[2-tri(propan-2-yl)silyloxyethyl]-1,3-thiazol-4-yl]methanol (PubChem CID 131745394) has the molecular formula C16H28F3NO2SSi and a molecular weight of 383.55 g/mol. Its IUPAC name is [2-(trifluoromethyl)-5-[2-tri(propan-2-yl)silyloxyethyl]-1,3-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[2-(trifluoromethyl)-5-[2-tri(propan-2-yl)silyloxyethyl]-1,3-thiazol-4-yl]methanol
PubChem CID131745394
Molecular FormulaC16H28F3NO2SSi
Molecular Weight383.55 g/mol
Exact Mass383.16
IUPAC Name[2-(trifluoromethyl)-5-[2-tri(propan-2-yl)silyloxyethyl]-1,3-thiazol-4-yl]methanol
SMILESCC(C)[Si](OCCc1sc(C(F)(F)F)nc1CO)(C(C)C)C(C)C
InChIInChI=1S/C16H28F3NO2SSi/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/h10-12,21H,7-9H2,1-6H3
InChIKeyPBCWKNPEDLAKMQ-UHFFFAOYSA-N
XLogP5.39
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.55
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2-(trifluoromethyl)-5-[2-tri(propan-2-yl)silyloxyethyl]-1,3-thiazol-4-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(trifluoromethyl)-5-[2-tri(propan-2-yl)silyloxyethyl]-1,3-thiazol-4-yl]methanol?
The IUPAC name of [2-(trifluoromethyl)-5-[2-tri(propan-2-yl)silyloxyethyl]-1,3-thiazol-4-yl]methanol (CID 131745394) is [2-(trifluoromethyl)-5-[2-tri(propan-2-yl)silyloxyethyl]-1,3-thiazol-4-yl]methanol.
What is the SMILES notation for [2-(trifluoromethyl)-5-[2-tri(propan-2-yl)silyloxyethyl]-1,3-thiazol-4-yl]methanol?
The canonical SMILES for [2-(trifluoromethyl)-5-[2-tri(propan-2-yl)silyloxyethyl]-1,3-thiazol-4-yl]methanol is CC(C)[Si](OCCc1sc(C(F)(F)F)nc1CO)(C(C)C)C(C)C.
What is the InChIKey of [2-(trifluoromethyl)-5-[2-tri(propan-2-yl)silyloxyethyl]-1,3-thiazol-4-yl]methanol?
The InChIKey is PBCWKNPEDLAKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F3NO2SSi/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/h10-12,21H,7-9H2,1-6H3.
What are the key properties of [2-(trifluoromethyl)-5-[2-tri(propan-2-yl)silyloxyethyl]-1,3-thiazol-4-yl]methanol?
[2-(trifluoromethyl)-5-[2-tri(propan-2-yl)silyloxyethyl]-1,3-thiazol-4-yl]methanol has a molecular weight of 383.55 g/mol, XLogP of 5.39, 8 rotatable bonds, 1 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-thiazol-4-yl]methanol is sourced from PubChem (CID 131745394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).