(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-trityloxyiminoacetic acid

C24H19N3O3S — CID 10117176

IUPAC(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-trityloxyiminoacetic acid
SMILESNc1nc(/C(=N/OC(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)O)cs1
InChIInChI=1S/C24H19N3O3S/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)/b27-21-
InChIKeyXEZIFGWTSLOMMT-MEFGMAGPSA-N
MW429.50 g/mol
LogP4.52
Rot. Bonds7

About (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-trityloxyiminoacetic acid

(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-trityloxyiminoacetic acid (PubChem CID 10117176) has the molecular formula C24H19N3O3S and a molecular weight of 429.50 g/mol. Its IUPAC name is (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-trityloxyiminoacetic acid.

Molecular Properties

Compound Name(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-trityloxyiminoacetic acid
PubChem CID10117176
Molecular FormulaC24H19N3O3S
Molecular Weight429.50 g/mol
Exact Mass429.11
IUPAC Name(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-trityloxyiminoacetic acid
SMILESNc1nc(/C(=N/OC(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)O)cs1
InChIInChI=1S/C24H19N3O3S/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)/b27-21-
InChIKeyXEZIFGWTSLOMMT-MEFGMAGPSA-N
XLogP4.52
TPSA97.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

2-(2-amino-1,3-thiazol-4-yl)-2-trityloxyiminoacetic acid;N,N-dimethylacetamide
CID 85351612
(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-trityloxyiminoethanethioic S-acid
CID 19043530
potassium 2-(2-amino-1,3-thiazol-4-yl)-2-trityloxyiminoacetate
CID 139769615
2-(2-amino-1,3-thiazol-4-yl)-2-trityloxyiminoacetic acid;4-methylmorpholine
CID 173220273
sodium;hydride;(2E)-2-[2-(tritylamino)-1,3-thiazol-4-yl]-2-trityloxyiminoacetic acid
CID 173374496
2-(2-amino-1,3-thiazol-4-yl)-2-benzoyloxyiminoacetic acid
CID 139714456
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
N,N-diethylethanamine;(2E)-2-[2-(tritylamino)-1,3-thiazol-4-yl]-2-trityloxyiminoacetic acid
CID 173329336
(2Z)-2-(2-amino-2-oxoethoxy)imino-2-(2-amino-1,3-thiazol-4-yl)acetic acid
CID 14193034
2-acetyloxyimino-2-(2-amino-1,3-thiazol-4-yl)acetic acid;dihydrochloride
CID 173277547
2-(2-amino-1,3-thiazol-4-yl)-2-(2,2,2-trifluoroethoxyimino)acetic acid
CID 54296615

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-trityloxyiminoacetic acid?
The IUPAC name of (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-trityloxyiminoacetic acid (CID 10117176) is (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-trityloxyiminoacetic acid.
What is the SMILES notation for (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-trityloxyiminoacetic acid?
The canonical SMILES for (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-trityloxyiminoacetic acid is Nc1nc(/C(=N/OC(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)O)cs1.
What is the InChIKey of (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-trityloxyiminoacetic acid?
The InChIKey is XEZIFGWTSLOMMT-MEFGMAGPSA-N. The full InChI is InChI=1S/C24H19N3O3S/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)/b27-21-.
What are the key properties of (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-trityloxyiminoacetic acid?
(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-trityloxyiminoacetic acid has a molecular weight of 429.50 g/mol, XLogP of 4.52, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-trityloxyiminoacetic acid is sourced from PubChem (CID 10117176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).