2-hydroxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid

C24H19N3O3S — CID 73078134

IUPAC2-hydroxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)C(=NO)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C24H19N3O3S/c28-22(29)21(27-30)20-16-31-23(25-20)26-24(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-16,30H,(H,25,26)(H,28,29)
InChIKeyLOHLGUGGIGMESE-UHFFFAOYSA-N
MW429.50 g/mol
LogP4.81
Rot. Bonds7

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

2-hydroxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid (PubChem CID 73078134) has the molecular formula C24H19N3O3S and a molecular weight of 429.50 g/mol. Its IUPAC name is 2-hydroxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-hydroxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid
PubChem CID73078134
Molecular FormulaC24H19N3O3S
Molecular Weight429.50 g/mol
Exact Mass429.11
IUPAC Name2-hydroxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)C(=NO)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C24H19N3O3S/c28-22(29)21(27-30)20-16-31-23(25-20)26-24(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-16,30H,(H,25,26)(H,28,29)
InChIKeyLOHLGUGGIGMESE-UHFFFAOYSA-N
XLogP4.81
TPSA94.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 54.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_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

azane;2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid
CID 173355793
(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
(2E)-2-prop-2-enoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid
CID 12784197
(2E)-2-propoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid
CID 22816925
2-[(2S)-1-amino-1-oxopropan-2-yl]oxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid
CID 139626864
(2Z)-2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetate
CID 7156990
[2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetyl] 2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetate
CID 54189993
2-[2-(tritylamino)-1,3-thiazol-4-yl]-2-trityloxyiminoacetamide
CID 57294159
2-[(1-cyanocyclopropyl)methoxyimino]-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid
CID 173418297
N,N-diethylethanamine;(2E)-2-[2-(tritylamino)-1,3-thiazol-4-yl]-2-trityloxyiminoacetic acid
CID 173329336
methyl (2Z)-2-(trideuteriomethoxyimino)-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetate
CID 71752859

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-hydroxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid (CID 73078134) is 2-hydroxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-hydroxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-hydroxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid is O=C(O)C(=NO)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of 2-hydroxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is LOHLGUGGIGMESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O3S/c28-22(29)21(27-30)20-16-31-23(25-20)26-24(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-16,30H,(H,25,26)(H,28,29).
What are the key properties of 2-hydroxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid?
2-hydroxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 429.50 g/mol, XLogP of 4.81, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 73078134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).