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

C16H29NO2SSi — CID 158010504

IUPAC2-methyl-5-[2-tri(propan-2-yl)silyloxyethyl]-1,3-thiazole-4-carbaldehyde
SMILESCc1nc(C=O)c(CCO[Si](C(C)C)(C(C)C)C(C)C)s1
InChIInChI=1S/C16H29NO2SSi/c1-11(2)21(12(3)4,13(5)6)19-9-8-16-15(10-18)17-14(7)20-16/h10-13H,8-9H2,1-7H3
InChIKeyZOVDDVBGMDEOSU-UHFFFAOYSA-N
MW327.57 g/mol
LogP5.00
Rot. Bonds8

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

2-methyl-5-[2-tri(propan-2-yl)silyloxyethyl]-1,3-thiazole-4-carbaldehyde (PubChem CID 158010504) has the molecular formula C16H29NO2SSi and a molecular weight of 327.57 g/mol. Its IUPAC name is 2-methyl-5-[2-tri(propan-2-yl)silyloxyethyl]-1,3-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name2-methyl-5-[2-tri(propan-2-yl)silyloxyethyl]-1,3-thiazole-4-carbaldehyde
PubChem CID158010504
Molecular FormulaC16H29NO2SSi
Molecular Weight327.57 g/mol
Exact Mass327.17
IUPAC Name2-methyl-5-[2-tri(propan-2-yl)silyloxyethyl]-1,3-thiazole-4-carbaldehyde
SMILESCc1nc(C=O)c(CCO[Si](C(C)C)(C(C)C)C(C)C)s1
InChIInChI=1S/C16H29NO2SSi/c1-11(2)21(12(3)4,13(5)6)19-9-8-16-15(10-18)17-14(7)20-16/h10-13H,8-9H2,1-7H3
InChIKeyZOVDDVBGMDEOSU-UHFFFAOYSA-N
XLogP5.00
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.57
LogP ≤ 55.00
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-tri(propan-2-yl)silyloxyethyl]-1,3-thiazole-4-carbaldehyde?
The IUPAC name of 2-methyl-5-[2-tri(propan-2-yl)silyloxyethyl]-1,3-thiazole-4-carbaldehyde (CID 158010504) is 2-methyl-5-[2-tri(propan-2-yl)silyloxyethyl]-1,3-thiazole-4-carbaldehyde.
What is the SMILES notation for 2-methyl-5-[2-tri(propan-2-yl)silyloxyethyl]-1,3-thiazole-4-carbaldehyde?
The canonical SMILES for 2-methyl-5-[2-tri(propan-2-yl)silyloxyethyl]-1,3-thiazole-4-carbaldehyde is Cc1nc(C=O)c(CCO[Si](C(C)C)(C(C)C)C(C)C)s1.
What is the InChIKey of 2-methyl-5-[2-tri(propan-2-yl)silyloxyethyl]-1,3-thiazole-4-carbaldehyde?
The InChIKey is ZOVDDVBGMDEOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2SSi/c1-11(2)21(12(3)4,13(5)6)19-9-8-16-15(10-18)17-14(7)20-16/h10-13H,8-9H2,1-7H3.
What are the key properties of 2-methyl-5-[2-tri(propan-2-yl)silyloxyethyl]-1,3-thiazole-4-carbaldehyde?
2-methyl-5-[2-tri(propan-2-yl)silyloxyethyl]-1,3-thiazole-4-carbaldehyde has a molecular weight of 327.57 g/mol, XLogP of 5.00, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-tri(propan-2-yl)silyloxyethyl]-1,3-thiazole-4-carbaldehyde is sourced from PubChem (CID 158010504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).