azane;2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid

C25H24N4O3S — CID 173355793

IUPACazane;2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid
SMILESCON=C(C(=O)O)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1.N
InChIInChI=1S/C25H21N3O3S.H3N/c1-31-28-22(23(29)30)21-17-32-24(26-21)27-25(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20;/h2-17H,1H3,(H,26,27)(H,29,30);1H3
InChIKeyPIQRSJJGDAGRAR-UHFFFAOYSA-N
MW460.56 g/mol
LogP5.14
Rot. Bonds8

About azane;2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid

azane;2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid (PubChem CID 173355793) has the molecular formula C25H24N4O3S and a molecular weight of 460.56 g/mol. Its IUPAC name is azane;2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Nameazane;2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid
PubChem CID173355793
Molecular FormulaC25H24N4O3S
Molecular Weight460.56 g/mol
Exact Mass460.16
IUPAC Nameazane;2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid
SMILESCON=C(C(=O)O)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1.N
InChIInChI=1S/C25H21N3O3S.H3N/c1-31-28-22(23(29)30)21-17-32-24(26-21)27-25(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20;/h2-17H,1H3,(H,26,27)(H,29,30);1H3
InChIKeyPIQRSJJGDAGRAR-UHFFFAOYSA-N
XLogP5.14
TPSA118.81 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.56
LogP ≤ 55.14
H-Bond Donors ≤ 53
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

[2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetyl] 2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetate
CID 54189993
(2Z)-2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetate
CID 7156990
methyl (2Z)-2-(trideuteriomethoxyimino)-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetate
CID 71752859
(2E)-2-propoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid
CID 22816925
(2Z)-2-benzoyloxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid
CID 14850487
sodium;hydride;(2E)-2-[2-(tritylamino)-1,3-thiazol-4-yl]-2-trityloxyiminoacetic acid
CID 173374496
2-hydroxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid
CID 73078134
(2E)-2-prop-2-enoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid
CID 12784197
2-[(2S)-1-amino-1-oxopropan-2-yl]oxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid
CID 139626864
2-[2-methoxy-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid
CID 54066470
(2Z)-2-methoxyimino-1-(1,2,4-triazol-1-yl)-2-[2-(tritylamino)-1,3-thiazol-4-yl]ethanone
CID 139839497
N,N-diethylethanamine;(2E)-2-[2-(tritylamino)-1,3-thiazol-4-yl]-2-trityloxyiminoacetic acid
CID 173329336

Frequently Asked Questions

What is the IUPAC name of azane;2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of azane;2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid (CID 173355793) is azane;2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for azane;2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for azane;2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid is CON=C(C(=O)O)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1.N.
What is the InChIKey of azane;2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is PIQRSJJGDAGRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O3S.H3N/c1-31-28-22(23(29)30)21-17-32-24(26-21)27-25(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20;/h2-17H,1H3,(H,26,27)(H,29,30);1H3.
What are the key properties of azane;2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid?
azane;2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 460.56 g/mol, XLogP of 5.14, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 173355793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).