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

C25H23N3O3S — CID 142632003

IUPAC2-(methoxyamino)-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid
SMILESCONC(C(=O)O)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C25H23N3O3S/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/h2-17,22,28H,1H3,(H,26,27)(H,29,30)
InChIKeyKZRYMBOXLKVZJI-UHFFFAOYSA-N
MW445.54 g/mol
LogP4.82
Rot. Bonds9

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

2-(methoxyamino)-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid (PubChem CID 142632003) has the molecular formula C25H23N3O3S and a molecular weight of 445.54 g/mol. Its IUPAC name is 2-(methoxyamino)-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-(methoxyamino)-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid
PubChem CID142632003
Molecular FormulaC25H23N3O3S
Molecular Weight445.54 g/mol
Exact Mass445.15
IUPAC Name2-(methoxyamino)-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid
SMILESCONC(C(=O)O)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C25H23N3O3S/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/h2-17,22,28H,1H3,(H,26,27)(H,29,30)
InChIKeyKZRYMBOXLKVZJI-UHFFFAOYSA-N
XLogP4.82
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 54.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

potassium 2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetate
CID 88600380
azane;2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid
CID 173355793
[2-(tritylamino)-1,3-thiazol-4-yl] 2-methoxyiminoacetate
CID 57119759
2-hydroxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid
CID 73078134
[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
2-[(2S)-1-amino-1-oxopropan-2-yl]oxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid
CID 139626864
methyl (2Z)-2-(trideuteriomethoxyimino)-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetate
CID 71752859
N-carbamoyl-N-[2-(tritylamino)-1,3-thiazol-4-yl]acetamide
CID 174372656
(2E)-2-propoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid
CID 22816925
sodium;hydride;(2E)-2-[2-(tritylamino)-1,3-thiazol-4-yl]-2-trityloxyiminoacetic acid
CID 173374496
(2Z)-2-benzoyloxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid
CID 14850487

Frequently Asked Questions

What is the IUPAC name of 2-(methoxyamino)-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-(methoxyamino)-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid (CID 142632003) is 2-(methoxyamino)-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-(methoxyamino)-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-(methoxyamino)-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid is CONC(C(=O)O)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of 2-(methoxyamino)-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is KZRYMBOXLKVZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3S/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/h2-17,22,28H,1H3,(H,26,27)(H,29,30).
What are the key properties of 2-(methoxyamino)-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid?
2-(methoxyamino)-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 445.54 g/mol, XLogP of 4.82, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxyamino)-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 142632003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).