potassium 2-(2-amino-1,3-thiazol-4-yl)-2-trityloxyiminoacetate

C24H18KN3O3S — CID 139769615

IUPACpotassium 2-(2-amino-1,3-thiazol-4-yl)-2-trityloxyiminoacetate
SMILESNc1nc(C(=NOC(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)[O-])cs1.[K+]
InChIInChI=1S/C24H19N3O3S.K/c25-23-26-20(16-31-23)21(22(28)29)27-30-24(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19;/h1-16H,(H2,25,26)(H,28,29);/q;+1/p-1
InChIKeyRMNLDJPUBNPXOL-UHFFFAOYSA-M
MW467.59 g/mol
LogP0.19
Rot. Bonds7

About potassium 2-(2-amino-1,3-thiazol-4-yl)-2-trityloxyiminoacetate

potassium 2-(2-amino-1,3-thiazol-4-yl)-2-trityloxyiminoacetate (PubChem CID 139769615) has the molecular formula C24H18KN3O3S and a molecular weight of 467.59 g/mol. Its IUPAC name is potassium 2-(2-amino-1,3-thiazol-4-yl)-2-trityloxyiminoacetate.

Molecular Properties

Compound Namepotassium 2-(2-amino-1,3-thiazol-4-yl)-2-trityloxyiminoacetate
PubChem CID139769615
Molecular FormulaC24H18KN3O3S
Molecular Weight467.59 g/mol
Exact Mass467.07
IUPAC Namepotassium 2-(2-amino-1,3-thiazol-4-yl)-2-trityloxyiminoacetate
SMILESNc1nc(C(=NOC(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)[O-])cs1.[K+]
InChIInChI=1S/C24H19N3O3S.K/c25-23-26-20(16-31-23)21(22(28)29)27-30-24(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19;/h1-16H,(H2,25,26)(H,28,29);/q;+1/p-1
InChIKeyRMNLDJPUBNPXOL-UHFFFAOYSA-M
XLogP0.19
TPSA100.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.59
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-trityloxyiminoacetic acid
CID 10117176
(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-trityloxyiminoethanethioic S-acid
CID 19043530
2-(2-amino-1,3-thiazol-4-yl)-2-trityloxyiminoacetic acid;N,N-dimethylacetamide
CID 85351612
potassium 2-[2-(methoxycarbonylamino)-1,3-thiazol-4-yl]-2-trityloxyiminoacetate
CID 139769617
2-(2-amino-1,3-thiazol-4-yl)-2-trityloxyiminoacetic acid;4-methylmorpholine
CID 173220273
benzotriazol-1-yl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-trityloxyiminoacetate
CID 14807373
2-[2-(tritylamino)-1,3-thiazol-4-yl]-2-trityloxyiminoacetamide
CID 57294159
potassium (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-trityloxyiminoacetyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CID 87506869
sodium;hydride;(2E)-2-[2-(tritylamino)-1,3-thiazol-4-yl]-2-trityloxyiminoacetic acid
CID 173374496
benzyl 2-(2-amino-1,3-thiazol-4-yl)-2-[(2-methylpropan-2-yl)oxyimino]acetate
CID 139734063
(6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-trityloxyiminoacetyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CID 58636537
ethyl (2Z)-2-[2-(tritylamino)-1,3-thiazol-4-yl]-2-trityloxyiminoacetate
CID 14807371

Frequently Asked Questions

What is the IUPAC name of potassium 2-(2-amino-1,3-thiazol-4-yl)-2-trityloxyiminoacetate?
The IUPAC name of potassium 2-(2-amino-1,3-thiazol-4-yl)-2-trityloxyiminoacetate (CID 139769615) is potassium 2-(2-amino-1,3-thiazol-4-yl)-2-trityloxyiminoacetate.
What is the SMILES notation for potassium 2-(2-amino-1,3-thiazol-4-yl)-2-trityloxyiminoacetate?
The canonical SMILES for potassium 2-(2-amino-1,3-thiazol-4-yl)-2-trityloxyiminoacetate is Nc1nc(C(=NOC(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)[O-])cs1.[K+].
What is the InChIKey of potassium 2-(2-amino-1,3-thiazol-4-yl)-2-trityloxyiminoacetate?
The InChIKey is RMNLDJPUBNPXOL-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H19N3O3S.K/c25-23-26-20(16-31-23)21(22(28)29)27-30-24(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19;/h1-16H,(H2,25,26)(H,28,29);/q;+1/p-1.
What are the key properties of potassium 2-(2-amino-1,3-thiazol-4-yl)-2-trityloxyiminoacetate?
potassium 2-(2-amino-1,3-thiazol-4-yl)-2-trityloxyiminoacetate has a molecular weight of 467.59 g/mol, XLogP of 0.19, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-(2-amino-1,3-thiazol-4-yl)-2-trityloxyiminoacetate is sourced from PubChem (CID 139769615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).