ethyl 2-[(Z)-[2-amino-1-(2-amino-1,3-thiazol-4-yl)-2-oxoethylidene]amino]oxypropanoate

C10H14N4O4S — CID 173401753

IUPACethyl 2-[(Z)-[2-amino-1-(2-amino-1,3-thiazol-4-yl)-2-oxoethylidene]amino]oxypropanoate
SMILESCCOC(=O)C(C)O/N=C(\C(N)=O)c1csc(N)n1
InChIInChI=1S/C10H14N4O4S/c1-3-17-9(16)5(2)18-14-7(8(11)15)6-4-19-10(12)13-6/h4-5H,3H2,1-2H3,(H2,11,15)(H2,12,13)/b14-7-
InChIKeyINVJQNMYNIORIZ-AUWJEWJLSA-N
MW286.31 g/mol
LogP-0.12
Rot. Bonds6

About ethyl 2-[(Z)-[2-amino-1-(2-amino-1,3-thiazol-4-yl)-2-oxoethylidene]amino]oxypropanoate

ethyl 2-[(Z)-[2-amino-1-(2-amino-1,3-thiazol-4-yl)-2-oxoethylidene]amino]oxypropanoate (PubChem CID 173401753) has the molecular formula C10H14N4O4S and a molecular weight of 286.31 g/mol. Its IUPAC name is ethyl 2-[(Z)-[2-amino-1-(2-amino-1,3-thiazol-4-yl)-2-oxoethylidene]amino]oxypropanoate.

Molecular Properties

Compound Nameethyl 2-[(Z)-[2-amino-1-(2-amino-1,3-thiazol-4-yl)-2-oxoethylidene]amino]oxypropanoate
PubChem CID173401753
Molecular FormulaC10H14N4O4S
Molecular Weight286.31 g/mol
Exact Mass286.07
IUPAC Nameethyl 2-[(Z)-[2-amino-1-(2-amino-1,3-thiazol-4-yl)-2-oxoethylidene]amino]oxypropanoate
SMILESCCOC(=O)C(C)O/N=C(\C(N)=O)c1csc(N)n1
InChIInChI=1S/C10H14N4O4S/c1-3-17-9(16)5(2)18-14-7(8(11)15)6-4-19-10(12)13-6/h4-5H,3H2,1-2H3,(H2,11,15)(H2,12,13)/b14-7-
InChIKeyINVJQNMYNIORIZ-AUWJEWJLSA-N
XLogP-0.12
TPSA129.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl 2-[(Z)-[2-amino-1-(2-amino-1,3-thiazol-4-yl)-2-oxoethylidene]amino]oxypropanoate with MolForge

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Related Compounds

ethyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-propan-2-yloxycarbonyloxyiminoacetate
CID 86337585
2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetamide
CID 53423102
[[2-amino-1-(2-amino-1,3-thiazol-4-yl)-2-oxoethylidene]amino] acetate
CID 56631169
(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-oxopropoxyimino)acetamide
CID 89243139
(2E)-2-(2-amino-2-oxoethoxy)imino-2-(2-amino-1,3-thiazol-4-yl)acetamide
CID 154043594
[[2-amino-1-(2-amino-1,3-thiazol-4-yl)-2-oxoethylidene]amino] hexadecanoate
CID 139662591
[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-ethoxy-2-oxoethylidene]amino] propanoate
CID 139712776
ethyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-pentoxyiminoacetate
CID 12766140
ethyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(2-methylpropan-2-yl)oxyimino]acetate
CID 14865019
propyl 2-amino-1,3-thiazole-4-carboxylate
CID 58670395
(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-ethoxyimino-N-methylacetamide
CID 59874410
ethyl (2E)-2-(2-amino-1,3-thiazol-4-yl)-2-cyclopentyloxyiminoacetate
CID 21248947

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(Z)-[2-amino-1-(2-amino-1,3-thiazol-4-yl)-2-oxoethylidene]amino]oxypropanoate?
The IUPAC name of ethyl 2-[(Z)-[2-amino-1-(2-amino-1,3-thiazol-4-yl)-2-oxoethylidene]amino]oxypropanoate (CID 173401753) is ethyl 2-[(Z)-[2-amino-1-(2-amino-1,3-thiazol-4-yl)-2-oxoethylidene]amino]oxypropanoate.
What is the SMILES notation for ethyl 2-[(Z)-[2-amino-1-(2-amino-1,3-thiazol-4-yl)-2-oxoethylidene]amino]oxypropanoate?
The canonical SMILES for ethyl 2-[(Z)-[2-amino-1-(2-amino-1,3-thiazol-4-yl)-2-oxoethylidene]amino]oxypropanoate is CCOC(=O)C(C)O/N=C(\C(N)=O)c1csc(N)n1.
What is the InChIKey of ethyl 2-[(Z)-[2-amino-1-(2-amino-1,3-thiazol-4-yl)-2-oxoethylidene]amino]oxypropanoate?
The InChIKey is INVJQNMYNIORIZ-AUWJEWJLSA-N. The full InChI is InChI=1S/C10H14N4O4S/c1-3-17-9(16)5(2)18-14-7(8(11)15)6-4-19-10(12)13-6/h4-5H,3H2,1-2H3,(H2,11,15)(H2,12,13)/b14-7-.
What are the key properties of ethyl 2-[(Z)-[2-amino-1-(2-amino-1,3-thiazol-4-yl)-2-oxoethylidene]amino]oxypropanoate?
ethyl 2-[(Z)-[2-amino-1-(2-amino-1,3-thiazol-4-yl)-2-oxoethylidene]amino]oxypropanoate has a molecular weight of 286.31 g/mol, XLogP of -0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(Z)-[2-amino-1-(2-amino-1,3-thiazol-4-yl)-2-oxoethylidene]amino]oxypropanoate is sourced from PubChem (CID 173401753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).