2-ethoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetamide

C26H24N4O2S — CID 54390459

IUPAC2-ethoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetamide
SMILESCCON=C(C(N)=O)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C26H24N4O2S/c1-2-32-30-23(24(27)31)22-18-33-25(28-22)29-26(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18H,2H2,1H3,(H2,27,31)(H,28,29)
InChIKeyKZTVMWNYYZVLSC-UHFFFAOYSA-N
MW456.57 g/mol
LogP4.77
Rot. Bonds9

About 2-ethoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetamide

2-ethoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetamide (PubChem CID 54390459) has the molecular formula C26H24N4O2S and a molecular weight of 456.57 g/mol. Its IUPAC name is 2-ethoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound Name2-ethoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetamide
PubChem CID54390459
Molecular FormulaC26H24N4O2S
Molecular Weight456.57 g/mol
Exact Mass456.16
IUPAC Name2-ethoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetamide
SMILESCCON=C(C(N)=O)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C26H24N4O2S/c1-2-32-30-23(24(27)31)22-18-33-25(28-22)29-26(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18H,2H2,1H3,(H2,27,31)(H,28,29)
InChIKeyKZTVMWNYYZVLSC-UHFFFAOYSA-N
XLogP4.77
TPSA89.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.57
LogP ≤ 54.77
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

(2E)-2-ethoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetamide
CID 173435729
ethyl (2E)-2-prop-2-enoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetate
CID 12766144
2-[2-(tritylamino)-1,3-thiazol-4-yl]-2-trityloxyiminoacetamide
CID 57294159
ethyl 2-(fluoromethoxyimino)-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetate
CID 54364903
diethylphosphinothioyl (2Z)-2-ethoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetate
CID 23198625
(2E)-2-propoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid
CID 22816925
ethyl 2-prop-2-ynoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetate
CID 54124335
(2E)-2-prop-2-enoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid
CID 12784197
ethyl (2Z)-2-[2-(tritylamino)-1,3-thiazol-4-yl]-2-trityloxyiminoacetate
CID 14807371
ethyl (2E)-2-(3,3-dichloroprop-2-enoxyimino)-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetate
CID 86742858
ethyl (2Z)-2-(1-bromoethoxyimino)-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetate
CID 88629408
azane;2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid
CID 173355793

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of 2-ethoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetamide (CID 54390459) is 2-ethoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for 2-ethoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for 2-ethoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetamide is CCON=C(C(N)=O)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of 2-ethoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetamide?
The InChIKey is KZTVMWNYYZVLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2S/c1-2-32-30-23(24(27)31)22-18-33-25(28-22)29-26(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18H,2H2,1H3,(H2,27,31)(H,28,29).
What are the key properties of 2-ethoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetamide?
2-ethoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetamide has a molecular weight of 456.57 g/mol, XLogP of 4.77, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 54390459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).