ethyl 5-[2-methoxy-3-tri(propan-2-yl)silyloxypropyl]-2-(methylamino)-1,3-thiazole-4-carboxylate

C20H38N2O4SSi — CID 155592348

IUPACethyl 5-[2-methoxy-3-tri(propan-2-yl)silyloxypropyl]-2-(methylamino)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(NC)sc1CC(CO[Si](C(C)C)(C(C)C)C(C)C)OC
InChIInChI=1S/C20H38N2O4SSi/c1-10-25-19(23)18-17(27-20(21-8)22-18)11-16(24-9)12-26-28(13(2)3,14(4)5)15(6)7/h13-16H,10-12H2,1-9H3,(H,21,22)
InChIKeySELIGBVATVMINQ-UHFFFAOYSA-N
MW430.69 g/mol
LogP5.11
Rot. Bonds12

About ethyl 5-[2-methoxy-3-tri(propan-2-yl)silyloxypropyl]-2-(methylamino)-1,3-thiazole-4-carboxylate

ethyl 5-[2-methoxy-3-tri(propan-2-yl)silyloxypropyl]-2-(methylamino)-1,3-thiazole-4-carboxylate (PubChem CID 155592348) has the molecular formula C20H38N2O4SSi and a molecular weight of 430.69 g/mol. Its IUPAC name is ethyl 5-[2-methoxy-3-tri(propan-2-yl)silyloxypropyl]-2-(methylamino)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[2-methoxy-3-tri(propan-2-yl)silyloxypropyl]-2-(methylamino)-1,3-thiazole-4-carboxylate
PubChem CID155592348
Molecular FormulaC20H38N2O4SSi
Molecular Weight430.69 g/mol
Exact Mass430.23
IUPAC Nameethyl 5-[2-methoxy-3-tri(propan-2-yl)silyloxypropyl]-2-(methylamino)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(NC)sc1CC(CO[Si](C(C)C)(C(C)C)C(C)C)OC
InChIInChI=1S/C20H38N2O4SSi/c1-10-25-19(23)18-17(27-20(21-8)22-18)11-16(24-9)12-26-28(13(2)3,14(4)5)15(6)7/h13-16H,10-12H2,1-9H3,(H,21,22)
InChIKeySELIGBVATVMINQ-UHFFFAOYSA-N
XLogP5.11
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.69
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[2-methoxy-3-tri(propan-2-yl)silyloxypropyl]-2-(methylamino)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-[2-methoxy-3-tri(propan-2-yl)silyloxypropyl]-2-(methylamino)-1,3-thiazole-4-carboxylate (CID 155592348) is ethyl 5-[2-methoxy-3-tri(propan-2-yl)silyloxypropyl]-2-(methylamino)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[2-methoxy-3-tri(propan-2-yl)silyloxypropyl]-2-(methylamino)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-[2-methoxy-3-tri(propan-2-yl)silyloxypropyl]-2-(methylamino)-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(NC)sc1CC(CO[Si](C(C)C)(C(C)C)C(C)C)OC.
What is the InChIKey of ethyl 5-[2-methoxy-3-tri(propan-2-yl)silyloxypropyl]-2-(methylamino)-1,3-thiazole-4-carboxylate?
The InChIKey is SELIGBVATVMINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2O4SSi/c1-10-25-19(23)18-17(27-20(21-8)22-18)11-16(24-9)12-26-28(13(2)3,14(4)5)15(6)7/h13-16H,10-12H2,1-9H3,(H,21,22).
What are the key properties of ethyl 5-[2-methoxy-3-tri(propan-2-yl)silyloxypropyl]-2-(methylamino)-1,3-thiazole-4-carboxylate?
ethyl 5-[2-methoxy-3-tri(propan-2-yl)silyloxypropyl]-2-(methylamino)-1,3-thiazole-4-carboxylate has a molecular weight of 430.69 g/mol, XLogP of 5.11, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[2-methoxy-3-tri(propan-2-yl)silyloxypropyl]-2-(methylamino)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 155592348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).