2-[(E)-[tert-butyl(dimethyl)silyl]oxyiminomethyl]-1,3-thiazole-4-carboxylic acid

C11H18N2O3SSi — CID 11471710

IUPAC2-[(E)-[tert-butyl(dimethyl)silyl]oxyiminomethyl]-1,3-thiazole-4-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)O/N=C/c1nc(C(=O)O)cs1
InChIInChI=1S/C11H18N2O3SSi/c1-11(2,3)18(4,5)16-12-6-9-13-8(7-17-9)10(14)15/h6-7H,1-5H3,(H,14,15)/b12-6+
InChIKeyZPFWTXSAPGSYDR-WUXMJOGZSA-N
MW286.43 g/mol
LogP3.20
Rot. Bonds4

About 2-[(E)-[tert-butyl(dimethyl)silyl]oxyiminomethyl]-1,3-thiazole-4-carboxylic acid

2-[(E)-[tert-butyl(dimethyl)silyl]oxyiminomethyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 11471710) has the molecular formula C11H18N2O3SSi and a molecular weight of 286.43 g/mol. Its IUPAC name is 2-[(E)-[tert-butyl(dimethyl)silyl]oxyiminomethyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(E)-[tert-butyl(dimethyl)silyl]oxyiminomethyl]-1,3-thiazole-4-carboxylic acid
PubChem CID11471710
Molecular FormulaC11H18N2O3SSi
Molecular Weight286.43 g/mol
Exact Mass286.08
IUPAC Name2-[(E)-[tert-butyl(dimethyl)silyl]oxyiminomethyl]-1,3-thiazole-4-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)O/N=C/c1nc(C(=O)O)cs1
InChIInChI=1S/C11H18N2O3SSi/c1-11(2,3)18(4,5)16-12-6-9-13-8(7-17-9)10(14)15/h6-7H,1-5H3,(H,14,15)/b12-6+
InChIKeyZPFWTXSAPGSYDR-WUXMJOGZSA-N
XLogP3.20
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.43
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(Z)-3-(dimethylamino)-2-hydroxyprop-1-enyl]-1,3-thiazole-4-carboxylic acid
CID 135709714
2-chloro-1,3-thiazole-4-carboxylic acid;hydrochloride
CID 70024708
2-[(4-methyl-1,3-thiazol-2-yl)methylideneamino]oxyacetic acid
CID 104771692
2-(3-methoxypentan-3-yl)-1,3-thiazole-4-carboxylic acid
CID 116744386
2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid
CID 2794795
2-(5-hydroxy-2-methylpentan-2-yl)-1,3-thiazole-4-carboxylic acid
CID 82155383
2-[methyl-[(2-methylpropan-2-yl)oxy]amino]-1,3-thiazole-4-carboxylic acid
CID 165351685
2-[(1S)-1-hydroxyethyl]-1,3-thiazole-4-carboxylic acid
CID 45103110
2-[4-[tert-butyl(dimethyl)silyl]oxybutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1,3-thiazole-4-carboxylic acid
CID 175572842
2-[(E)-2-thiophen-3-ylethenyl]-1,3-thiazole-4-carboxylic acid
CID 166178289
2-[(E)-2-(1,3-thiazol-5-yl)ethenyl]-1,3-thiazole-4-carboxylic acid
CID 167897593
2-[(E)-2-[5-(trifluoromethyl)-1,3-thiazol-2-yl]ethenyl]-1,3-thiazole-4-carboxylic acid
CID 167968760

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[tert-butyl(dimethyl)silyl]oxyiminomethyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[(E)-[tert-butyl(dimethyl)silyl]oxyiminomethyl]-1,3-thiazole-4-carboxylic acid (CID 11471710) is 2-[(E)-[tert-butyl(dimethyl)silyl]oxyiminomethyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[(E)-[tert-butyl(dimethyl)silyl]oxyiminomethyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[(E)-[tert-butyl(dimethyl)silyl]oxyiminomethyl]-1,3-thiazole-4-carboxylic acid is CC(C)(C)[Si](C)(C)O/N=C/c1nc(C(=O)O)cs1.
What is the InChIKey of 2-[(E)-[tert-butyl(dimethyl)silyl]oxyiminomethyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is ZPFWTXSAPGSYDR-WUXMJOGZSA-N. The full InChI is InChI=1S/C11H18N2O3SSi/c1-11(2,3)18(4,5)16-12-6-9-13-8(7-17-9)10(14)15/h6-7H,1-5H3,(H,14,15)/b12-6+.
What are the key properties of 2-[(E)-[tert-butyl(dimethyl)silyl]oxyiminomethyl]-1,3-thiazole-4-carboxylic acid?
2-[(E)-[tert-butyl(dimethyl)silyl]oxyiminomethyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 286.43 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[tert-butyl(dimethyl)silyl]oxyiminomethyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 11471710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).