(4S)-2-[2-[tert-butyl(diphenyl)silyl]oxyphenyl]-4,5-dihydro-1,3-thiazole-4-carbaldehyde

C26H27NO2SSi — CID 11430731

IUPAC(4S)-2-[2-[tert-butyl(diphenyl)silyl]oxyphenyl]-4,5-dihydro-1,3-thiazole-4-carbaldehyde
SMILESCC(C)(C)[Si](Oc1ccccc1C1=N[C@@H](C=O)CS1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H27NO2SSi/c1-26(2,3)31(21-12-6-4-7-13-21,22-14-8-5-9-15-22)29-24-17-11-10-16-23(24)25-27-20(18-28)19-30-25/h4-18,20H,19H2,1-3H3/t20-/m0/s1
InChIKeyWOUAXCKBBJINSI-FQEVSTJZSA-N
MW445.66 g/mol
LogP4.69
Rot. Bonds6

About (4S)-2-[2-[tert-butyl(diphenyl)silyl]oxyphenyl]-4,5-dihydro-1,3-thiazole-4-carbaldehyde

(4S)-2-[2-[tert-butyl(diphenyl)silyl]oxyphenyl]-4,5-dihydro-1,3-thiazole-4-carbaldehyde (PubChem CID 11430731) has the molecular formula C26H27NO2SSi and a molecular weight of 445.66 g/mol. Its IUPAC name is (4S)-2-[2-[tert-butyl(diphenyl)silyl]oxyphenyl]-4,5-dihydro-1,3-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name(4S)-2-[2-[tert-butyl(diphenyl)silyl]oxyphenyl]-4,5-dihydro-1,3-thiazole-4-carbaldehyde
PubChem CID11430731
Molecular FormulaC26H27NO2SSi
Molecular Weight445.66 g/mol
Exact Mass445.15
IUPAC Name(4S)-2-[2-[tert-butyl(diphenyl)silyl]oxyphenyl]-4,5-dihydro-1,3-thiazole-4-carbaldehyde
SMILESCC(C)(C)[Si](Oc1ccccc1C1=N[C@@H](C=O)CS1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H27NO2SSi/c1-26(2,3)31(21-12-6-4-7-13-21,22-14-8-5-9-15-22)29-24-17-11-10-16-23(24)25-27-20(18-28)19-30-25/h4-18,20H,19H2,1-3H3/t20-/m0/s1
InChIKeyWOUAXCKBBJINSI-FQEVSTJZSA-N
XLogP4.69
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.66
LogP ≤ 54.69
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

tert-butyl-(2-nitrophenoxy)-diphenylsilane
CID 91423635
tert-butyl-[2-(cyclopropylidenemethyl)phenoxy]-diphenylsilane
CID 101450805
4-[tert-butyl(diphenyl)silyl]oxy-3-methoxybenzaldehyde
CID 11395179
2,4-bis[[tert-butyl(diphenyl)silyl]oxy]benzaldehyde
CID 44598255
cis-(1R,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde;cis-(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde
CID 162119958
tert-butyl-[[3-[tert-butyl(diphenyl)silyl]oxy-3H-inden-4-yl]oxy]-diphenylsilane
CID 69332486
cis-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclohexane-1-carbaldehyde
CID 58018792
tert-butyl (4R)-2-(2-phenylphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylate
CID 11975984
2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3-dihydrobenzo[h][1,4]benzoxathiine-5,6-dione
CID 25263860
ethyl 5-[tert-butyl(diphenyl)silyl]oxy-1-oxo-3,4-dihydro-2H-naphthalene-2-carboxylate
CID 54011243
(3-bromonaphthalen-2-yl)oxy-tert-butyl-diphenylsilane
CID 101484237
N-[2-amino-5-[tert-butyl(diphenyl)silyl]oxy-4-methoxyphenyl]formamide
CID 58622914

Frequently Asked Questions

What is the IUPAC name of (4S)-2-[2-[tert-butyl(diphenyl)silyl]oxyphenyl]-4,5-dihydro-1,3-thiazole-4-carbaldehyde?
The IUPAC name of (4S)-2-[2-[tert-butyl(diphenyl)silyl]oxyphenyl]-4,5-dihydro-1,3-thiazole-4-carbaldehyde (CID 11430731) is (4S)-2-[2-[tert-butyl(diphenyl)silyl]oxyphenyl]-4,5-dihydro-1,3-thiazole-4-carbaldehyde.
What is the SMILES notation for (4S)-2-[2-[tert-butyl(diphenyl)silyl]oxyphenyl]-4,5-dihydro-1,3-thiazole-4-carbaldehyde?
The canonical SMILES for (4S)-2-[2-[tert-butyl(diphenyl)silyl]oxyphenyl]-4,5-dihydro-1,3-thiazole-4-carbaldehyde is CC(C)(C)[Si](Oc1ccccc1C1=N[C@@H](C=O)CS1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (4S)-2-[2-[tert-butyl(diphenyl)silyl]oxyphenyl]-4,5-dihydro-1,3-thiazole-4-carbaldehyde?
The InChIKey is WOUAXCKBBJINSI-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H27NO2SSi/c1-26(2,3)31(21-12-6-4-7-13-21,22-14-8-5-9-15-22)29-24-17-11-10-16-23(24)25-27-20(18-28)19-30-25/h4-18,20H,19H2,1-3H3/t20-/m0/s1.
What are the key properties of (4S)-2-[2-[tert-butyl(diphenyl)silyl]oxyphenyl]-4,5-dihydro-1,3-thiazole-4-carbaldehyde?
(4S)-2-[2-[tert-butyl(diphenyl)silyl]oxyphenyl]-4,5-dihydro-1,3-thiazole-4-carbaldehyde has a molecular weight of 445.66 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-[2-[tert-butyl(diphenyl)silyl]oxyphenyl]-4,5-dihydro-1,3-thiazole-4-carbaldehyde is sourced from PubChem (CID 11430731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).