(2E)-2-[2-[(2,2-dimethyl-3,3-diphenylpropanoyl)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetic acid

C23H23N3O4S — CID 87453165

IUPAC(2E)-2-[2-[(2,2-dimethyl-3,3-diphenylpropanoyl)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetic acid
SMILESCO/N=C(/C(=O)O)c1csc(NC(=O)C(C)(C)C(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C23H23N3O4S/c1-23(2,18(15-10-6-4-7-11-15)16-12-8-5-9-13-16)21(29)25-22-24-17(14-31-22)19(20(27)28)26-30-3/h4-14,18H,1-3H3,(H,27,28)(H,24,25,29)/b26-19+
InChIKeyDTOFXTJYLAIDJI-LGUFXXKBSA-N
MW437.52 g/mol
LogP4.38
Rot. Bonds8

About (2E)-2-[2-[(2,2-dimethyl-3,3-diphenylpropanoyl)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetic acid

(2E)-2-[2-[(2,2-dimethyl-3,3-diphenylpropanoyl)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetic acid (PubChem CID 87453165) has the molecular formula C23H23N3O4S and a molecular weight of 437.52 g/mol. Its IUPAC name is (2E)-2-[2-[(2,2-dimethyl-3,3-diphenylpropanoyl)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetic acid.

Molecular Properties

Compound Name(2E)-2-[2-[(2,2-dimethyl-3,3-diphenylpropanoyl)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetic acid
PubChem CID87453165
Molecular FormulaC23H23N3O4S
Molecular Weight437.52 g/mol
Exact Mass437.14
IUPAC Name(2E)-2-[2-[(2,2-dimethyl-3,3-diphenylpropanoyl)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetic acid
SMILESCO/N=C(/C(=O)O)c1csc(NC(=O)C(C)(C)C(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C23H23N3O4S/c1-23(2,18(15-10-6-4-7-11-15)16-12-8-5-9-13-16)21(29)25-22-24-17(14-31-22)19(20(27)28)26-30-3/h4-14,18H,1-3H3,(H,27,28)(H,24,25,29)/b26-19+
InChIKeyDTOFXTJYLAIDJI-LGUFXXKBSA-N
XLogP4.38
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 54.38
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'}

Analyze (2E)-2-[2-[(2,2-dimethyl-3,3-diphenylpropanoyl)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetic acid with MolForge

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Launch Full Analysis

Related Compounds

azane;2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid
CID 173355793
2,2-dimethyl-3,3-diphenyl-N-[4-(2-phenylpropan-2-yl)-1,3-thiazol-2-yl]propanamide
CID 59232960
(2E)-2-methoxyimino-2-[2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 10133855
(2E)-2-[2-(ethoxycarbonylamino)-1,3-thiazol-4-yl]-2-methoxyiminoacetic acid
CID 22827748
(2E)-2-methoxyimino-2-[2-(2-methylpropoxycarbonylamino)-1,3-thiazol-4-yl]acetic acid
CID 22827749
3-(4-methoxyphenyl)-N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2,2-dimethyl-3-phenylpropanamide
CID 87453170
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,2-dimethyl-3,3-diphenylpropanamide
CID 59232782
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-methoxyphenyl)-2,2-dimethyl-3-phenylpropanamide
CID 59232831
2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetic acid;hydrochloride
CID 173181360
2-methoxyimino-2-[2-[(4-methylphenyl)methylamino]-1,3-thiazol-4-yl]acetic acid
CID 175344426
N-(4-tert-butyl-1,3-thiazol-2-yl)-3,3-bis(4-methoxyphenyl)-2,2-dimethylpropanamide
CID 59232774
tert-butyl 2-(2-acetamido-1,3-thiazol-4-yl)-2-methoxyiminoacetate
CID 142637269

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[2-[(2,2-dimethyl-3,3-diphenylpropanoyl)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetic acid?
The IUPAC name of (2E)-2-[2-[(2,2-dimethyl-3,3-diphenylpropanoyl)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetic acid (CID 87453165) is (2E)-2-[2-[(2,2-dimethyl-3,3-diphenylpropanoyl)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetic acid.
What is the SMILES notation for (2E)-2-[2-[(2,2-dimethyl-3,3-diphenylpropanoyl)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetic acid?
The canonical SMILES for (2E)-2-[2-[(2,2-dimethyl-3,3-diphenylpropanoyl)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetic acid is CO/N=C(/C(=O)O)c1csc(NC(=O)C(C)(C)C(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of (2E)-2-[2-[(2,2-dimethyl-3,3-diphenylpropanoyl)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetic acid?
The InChIKey is DTOFXTJYLAIDJI-LGUFXXKBSA-N. The full InChI is InChI=1S/C23H23N3O4S/c1-23(2,18(15-10-6-4-7-11-15)16-12-8-5-9-13-16)21(29)25-22-24-17(14-31-22)19(20(27)28)26-30-3/h4-14,18H,1-3H3,(H,27,28)(H,24,25,29)/b26-19+.
What are the key properties of (2E)-2-[2-[(2,2-dimethyl-3,3-diphenylpropanoyl)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetic acid?
(2E)-2-[2-[(2,2-dimethyl-3,3-diphenylpropanoyl)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetic acid has a molecular weight of 437.52 g/mol, XLogP of 4.38, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[2-[(2,2-dimethyl-3,3-diphenylpropanoyl)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetic acid is sourced from PubChem (CID 87453165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).