benzyl 2-(2-amino-1,3-thiazol-4-yl)-2-[(2-methylpropan-2-yl)oxyimino]acetate

C16H19N3O3S — CID 139734063

IUPACbenzyl 2-(2-amino-1,3-thiazol-4-yl)-2-[(2-methylpropan-2-yl)oxyimino]acetate
SMILESCC(C)(C)ON=C(C(=O)OCc1ccccc1)c1csc(N)n1
InChIInChI=1S/C16H19N3O3S/c1-16(2,3)22-19-13(12-10-23-15(17)18-12)14(20)21-9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H2,17,18)
InChIKeyTWUHMSNPFBBVGT-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.99
Rot. Bonds5

About benzyl 2-(2-amino-1,3-thiazol-4-yl)-2-[(2-methylpropan-2-yl)oxyimino]acetate

benzyl 2-(2-amino-1,3-thiazol-4-yl)-2-[(2-methylpropan-2-yl)oxyimino]acetate (PubChem CID 139734063) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is benzyl 2-(2-amino-1,3-thiazol-4-yl)-2-[(2-methylpropan-2-yl)oxyimino]acetate.

Molecular Properties

Compound Namebenzyl 2-(2-amino-1,3-thiazol-4-yl)-2-[(2-methylpropan-2-yl)oxyimino]acetate
PubChem CID139734063
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Namebenzyl 2-(2-amino-1,3-thiazol-4-yl)-2-[(2-methylpropan-2-yl)oxyimino]acetate
SMILESCC(C)(C)ON=C(C(=O)OCc1ccccc1)c1csc(N)n1
InChIInChI=1S/C16H19N3O3S/c1-16(2,3)22-19-13(12-10-23-15(17)18-12)14(20)21-9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H2,17,18)
InChIKeyTWUHMSNPFBBVGT-UHFFFAOYSA-N
XLogP2.99
TPSA86.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.99
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'}

Analyze benzyl 2-(2-amino-1,3-thiazol-4-yl)-2-[(2-methylpropan-2-yl)oxyimino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl 2-(2-amino-1,3-thiazol-4-yl)-2-ethoxyiminoacetate
CID 139807125
ethyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(2-methylpropan-2-yl)oxyimino]acetate
CID 14865019
benzyl 2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetate
CID 139714453
O-benzylhydroxylamine;ethyl 2-(2-amino-1,3-thiazol-4-yl)-2-oxoacetate;ethyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-phenylmethoxyiminoacetate
CID 172939566
(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-trityloxyiminoacetic acid
CID 10117176
(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-trityloxyiminoethanethioic S-acid
CID 19043530
potassium 2-(2-amino-1,3-thiazol-4-yl)-2-trityloxyiminoacetate
CID 139769615
tert-butyl 2-[[1-(2-amino-1,3-thiazol-4-yl)-2-oxo-2-(2-sulfanylphenoxy)ethylidene]amino]oxy-2-methylpropanoate
CID 138115318
ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-phenylmethoxyiminoacetate
CID 142485130
2-(2-amino-1,3-thiazol-4-yl)-2-trityloxyiminoacetic acid;N,N-dimethylacetamide
CID 85351612
N-(2-aminoacetyl)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-N-phenylacetamide
CID 54318882
ethyl (2E)-2-(2-amino-1,3-thiazol-4-yl)-2-[(2,6-dichlorophenyl)methoxyimino]acetate
CID 86742870

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(2-amino-1,3-thiazol-4-yl)-2-[(2-methylpropan-2-yl)oxyimino]acetate?
The IUPAC name of benzyl 2-(2-amino-1,3-thiazol-4-yl)-2-[(2-methylpropan-2-yl)oxyimino]acetate (CID 139734063) is benzyl 2-(2-amino-1,3-thiazol-4-yl)-2-[(2-methylpropan-2-yl)oxyimino]acetate.
What is the SMILES notation for benzyl 2-(2-amino-1,3-thiazol-4-yl)-2-[(2-methylpropan-2-yl)oxyimino]acetate?
The canonical SMILES for benzyl 2-(2-amino-1,3-thiazol-4-yl)-2-[(2-methylpropan-2-yl)oxyimino]acetate is CC(C)(C)ON=C(C(=O)OCc1ccccc1)c1csc(N)n1.
What is the InChIKey of benzyl 2-(2-amino-1,3-thiazol-4-yl)-2-[(2-methylpropan-2-yl)oxyimino]acetate?
The InChIKey is TWUHMSNPFBBVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-16(2,3)22-19-13(12-10-23-15(17)18-12)14(20)21-9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H2,17,18).
What are the key properties of benzyl 2-(2-amino-1,3-thiazol-4-yl)-2-[(2-methylpropan-2-yl)oxyimino]acetate?
benzyl 2-(2-amino-1,3-thiazol-4-yl)-2-[(2-methylpropan-2-yl)oxyimino]acetate has a molecular weight of 333.41 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(2-amino-1,3-thiazol-4-yl)-2-[(2-methylpropan-2-yl)oxyimino]acetate is sourced from PubChem (CID 139734063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).