(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enal

C16H27NO2SSi — CID 57037222

IUPAC(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enal
SMILESCC(=Cc1csc(C)n1)[C@H](CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H27NO2SSi/c1-12(10-14-11-20-13(2)17-14)15(8-9-18)19-21(6,7)16(3,4)5/h9-11,15H,8H2,1-7H3/t15-/m0/s1
InChIKeyIGKZHDYPUAXZTJ-HNNXBMFYSA-N
MW325.55 g/mol
LogP4.83
Rot. Bonds6

About (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enal

(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enal (PubChem CID 57037222) has the molecular formula C16H27NO2SSi and a molecular weight of 325.55 g/mol. Its IUPAC name is (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enal.

Molecular Properties

Compound Name(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enal
PubChem CID57037222
Molecular FormulaC16H27NO2SSi
Molecular Weight325.55 g/mol
Exact Mass325.15
IUPAC Name(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enal
SMILESCC(=Cc1csc(C)n1)[C@H](CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H27NO2SSi/c1-12(10-14-11-20-13(2)17-14)15(8-9-18)19-21(6,7)16(3,4)5/h9-11,15H,8H2,1-7H3/t15-/m0/s1
InChIKeyIGKZHDYPUAXZTJ-HNNXBMFYSA-N
XLogP4.83
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.55
LogP ≤ 54.83
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'}

Analyze (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enal 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 (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enal?
The IUPAC name of (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enal (CID 57037222) is (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enal.
What is the SMILES notation for (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enal?
The canonical SMILES for (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enal is CC(=Cc1csc(C)n1)[C@H](CC=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enal?
The InChIKey is IGKZHDYPUAXZTJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H27NO2SSi/c1-12(10-14-11-20-13(2)17-14)15(8-9-18)19-21(6,7)16(3,4)5/h9-11,15H,8H2,1-7H3/t15-/m0/s1.
What are the key properties of (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enal?
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enal has a molecular weight of 325.55 g/mol, XLogP of 4.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enal is sourced from PubChem (CID 57037222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).