cyclopentyl 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate

C11H15N3O3S — CID 139881164

IUPACcyclopentyl 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate
SMILESCON=C(C(=O)OC1CCCC1)c1csc(N)n1
InChIInChI=1S/C11H15N3O3S/c1-16-14-9(8-6-18-11(12)13-8)10(15)17-7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H2,12,13)
InChIKeyVVOJSLPQQYBWQO-UHFFFAOYSA-N
MW269.33 g/mol
LogP1.56
Rot. Bonds4

About cyclopentyl 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate

cyclopentyl 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate (PubChem CID 139881164) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is cyclopentyl 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate.

Molecular Properties

Compound Namecyclopentyl 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate
PubChem CID139881164
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Namecyclopentyl 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate
SMILESCON=C(C(=O)OC1CCCC1)c1csc(N)n1
InChIInChI=1S/C11H15N3O3S/c1-16-14-9(8-6-18-11(12)13-8)10(15)17-7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H2,12,13)
InChIKeyVVOJSLPQQYBWQO-UHFFFAOYSA-N
XLogP1.56
TPSA86.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 51.56
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'}

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Related Compounds

ethyl (2E)-2-(2-amino-1,3-thiazol-4-yl)-2-cyclopentyloxyiminoacetate
CID 21248947
bromo 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate
CID 174309981
ethyl (2E)-2-(2-amino-1,3-thiazol-4-yl)-2-cyclohexyloxyiminoacetate
CID 19853740
2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetamide
CID 53423102
1-(2-amino-1,3-thiazol-4-yl)-1-methoxyiminopropan-2-one
CID 74007850
2-(2-amino-1,3-thiazol-4-yl)-2-cyclopentyloxyiminoethanethioic S-acid
CID 54129320
methylsulfonyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate
CID 90408096
ethyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-methoxycyclohexyl)oxyiminoacetate
CID 88627014
(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoethanethioic S-acid;benzene
CID 174852867
(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-[(1R,2R)-2-methoxycyclohexyl]oxyiminoacetic acid
CID 86742865
2-(2-amino-1,3-thiazol-4-yl)-2-[(1R,2R)-2-methoxycyclohexyl]oxyiminoacetic acid
CID 54362828
ethyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(3-chlorocyclohexyl)oxyiminoacetate
CID 88627821

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate?
The IUPAC name of cyclopentyl 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate (CID 139881164) is cyclopentyl 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate.
What is the SMILES notation for cyclopentyl 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate?
The canonical SMILES for cyclopentyl 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate is CON=C(C(=O)OC1CCCC1)c1csc(N)n1.
What is the InChIKey of cyclopentyl 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate?
The InChIKey is VVOJSLPQQYBWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-16-14-9(8-6-18-11(12)13-8)10(15)17-7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H2,12,13).
What are the key properties of cyclopentyl 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate?
cyclopentyl 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate has a molecular weight of 269.33 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate is sourced from PubChem (CID 139881164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).