(2Z)-2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetate

C25H20N3O3S- — CID 7156990

IUPAC(2Z)-2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetate
SMILESCO/N=C(\C(=O)[O-])c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C25H21N3O3S/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)/p-1/b28-22-
InChIKeyPKPGSMOHYWOGJR-SLMZUGIISA-M
MW442.52 g/mol
LogP3.65
Rot. Bonds8

About (2Z)-2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetate

(2Z)-2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetate (PubChem CID 7156990) has the molecular formula C25H20N3O3S- and a molecular weight of 442.52 g/mol. Its IUPAC name is (2Z)-2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Name(2Z)-2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetate
PubChem CID7156990
Molecular FormulaC25H20N3O3S-
Molecular Weight442.52 g/mol
Exact Mass442.12
IUPAC Name(2Z)-2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetate
SMILESCO/N=C(\C(=O)[O-])c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C25H21N3O3S/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)/p-1/b28-22-
InChIKeyPKPGSMOHYWOGJR-SLMZUGIISA-M
XLogP3.65
TPSA86.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.65
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

azane;2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid
CID 173355793
[2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetyl] 2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetate
CID 54189993
methyl (2Z)-2-(trideuteriomethoxyimino)-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetate
CID 71752859
(2Z)-2-methoxyimino-1-(1,2,4-triazol-1-yl)-2-[2-(tritylamino)-1,3-thiazol-4-yl]ethanone
CID 139839497
benzotriazol-1-yl (2Z)-2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetate
CID 88675991
2-hydroxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid
CID 73078134
(2E)-2-ethoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetamide
CID 173435729
(2E)-2-propoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid
CID 22816925
potassium 2-[2-(methoxycarbonylamino)-1,3-thiazol-4-yl]-2-trityloxyiminoacetate
CID 139769617
2-ethoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetamide
CID 54390459
(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

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetate?
The IUPAC name of (2Z)-2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetate (CID 7156990) is (2Z)-2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for (2Z)-2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for (2Z)-2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetate is CO/N=C(\C(=O)[O-])c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of (2Z)-2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetate?
The InChIKey is PKPGSMOHYWOGJR-SLMZUGIISA-M. The full InChI is InChI=1S/C25H21N3O3S/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)/p-1/b28-22-.
What are the key properties of (2Z)-2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetate?
(2Z)-2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetate has a molecular weight of 442.52 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 7156990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).