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

C43H34N4O2S — CID 57294159

IUPAC2-[2-(tritylamino)-1,3-thiazol-4-yl]-2-trityloxyiminoacetamide
SMILESNC(=O)C(=NOC(c1ccccc1)(c1ccccc1)c1ccccc1)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C43H34N4O2S/c44-40(48)39(47-49-43(35-25-13-4-14-26-35,36-27-15-5-16-28-36)37-29-17-6-18-30-37)38-31-50-41(45-38)46-42(32-19-7-1-8-20-32,33-21-9-2-10-22-33)34-23-11-3-12-24-34/h1-31H,(H2,44,48)(H,45,46)
InChIKeySGDSZPKCQUENHC-UHFFFAOYSA-N
MW670.84 g/mol
LogP8.75
Rot. Bonds12

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

2-[2-(tritylamino)-1,3-thiazol-4-yl]-2-trityloxyiminoacetamide (PubChem CID 57294159) has the molecular formula C43H34N4O2S and a molecular weight of 670.84 g/mol. Its IUPAC name is 2-[2-(tritylamino)-1,3-thiazol-4-yl]-2-trityloxyiminoacetamide.

Molecular Properties

Compound Name2-[2-(tritylamino)-1,3-thiazol-4-yl]-2-trityloxyiminoacetamide
PubChem CID57294159
Molecular FormulaC43H34N4O2S
Molecular Weight670.84 g/mol
Exact Mass670.24
IUPAC Name2-[2-(tritylamino)-1,3-thiazol-4-yl]-2-trityloxyiminoacetamide
SMILESNC(=O)C(=NOC(c1ccccc1)(c1ccccc1)c1ccccc1)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C43H34N4O2S/c44-40(48)39(47-49-43(35-25-13-4-14-26-35,36-27-15-5-16-28-36)37-29-17-6-18-30-37)38-31-50-41(45-38)46-42(32-19-7-1-8-20-32,33-21-9-2-10-22-33)34-23-11-3-12-24-34/h1-31H,(H2,44,48)(H,45,46)
InChIKeySGDSZPKCQUENHC-UHFFFAOYSA-N
XLogP8.75
TPSA89.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.84
LogP ≤ 58.75
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

sodium;hydride;(2E)-2-[2-(tritylamino)-1,3-thiazol-4-yl]-2-trityloxyiminoacetic acid
CID 173374496
ethyl (2Z)-2-[2-(tritylamino)-1,3-thiazol-4-yl]-2-trityloxyiminoacetate
CID 14807371
(2E)-2-ethoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetamide
CID 173435729
2-ethoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetamide
CID 54390459
N,N-diethylethanamine;(2E)-2-[2-(tritylamino)-1,3-thiazol-4-yl]-2-trityloxyiminoacetic acid
CID 173329336
(2Z)-N-(2,2-dimethoxyethyl)-2-[2-(tritylamino)-1,3-thiazol-4-yl]-2-trityloxyiminoacetamide
CID 170453471
(2Z)-2-benzoyloxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid
CID 14850487
2-hydroxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid
CID 73078134
azane;2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid
CID 173355793
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(tritylamino)-1,3-thiazol-4-yl]-2-trityloxyiminoacetamide?
The IUPAC name of 2-[2-(tritylamino)-1,3-thiazol-4-yl]-2-trityloxyiminoacetamide (CID 57294159) is 2-[2-(tritylamino)-1,3-thiazol-4-yl]-2-trityloxyiminoacetamide.
What is the SMILES notation for 2-[2-(tritylamino)-1,3-thiazol-4-yl]-2-trityloxyiminoacetamide?
The canonical SMILES for 2-[2-(tritylamino)-1,3-thiazol-4-yl]-2-trityloxyiminoacetamide is NC(=O)C(=NOC(c1ccccc1)(c1ccccc1)c1ccccc1)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of 2-[2-(tritylamino)-1,3-thiazol-4-yl]-2-trityloxyiminoacetamide?
The InChIKey is SGDSZPKCQUENHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H34N4O2S/c44-40(48)39(47-49-43(35-25-13-4-14-26-35,36-27-15-5-16-28-36)37-29-17-6-18-30-37)38-31-50-41(45-38)46-42(32-19-7-1-8-20-32,33-21-9-2-10-22-33)34-23-11-3-12-24-34/h1-31H,(H2,44,48)(H,45,46).
What are the key properties of 2-[2-(tritylamino)-1,3-thiazol-4-yl]-2-trityloxyiminoacetamide?
2-[2-(tritylamino)-1,3-thiazol-4-yl]-2-trityloxyiminoacetamide has a molecular weight of 670.84 g/mol, XLogP of 8.75, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(tritylamino)-1,3-thiazol-4-yl]-2-trityloxyiminoacetamide is sourced from PubChem (CID 57294159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).