(2Z)-2-(2-formamido-1,3-thiazol-4-yl)-2-pentoxyiminoacetic acid

C11H15N3O4S — CID 12766142

IUPAC(2Z)-2-(2-formamido-1,3-thiazol-4-yl)-2-pentoxyiminoacetic acid
SMILESCCCCCO/N=C(\C(=O)O)c1csc(NC=O)n1
InChIInChI=1S/C11H15N3O4S/c1-2-3-4-5-18-14-9(10(16)17)8-6-19-11(13-8)12-7-15/h6-7H,2-5H2,1H3,(H,16,17)(H,12,13,15)/b14-9-
InChIKeyFMTFFWAQTXIWNN-ZROIWOOFSA-N
MW285.32 g/mol
LogP1.71
Rot. Bonds9

About (2Z)-2-(2-formamido-1,3-thiazol-4-yl)-2-pentoxyiminoacetic acid

(2Z)-2-(2-formamido-1,3-thiazol-4-yl)-2-pentoxyiminoacetic acid (PubChem CID 12766142) has the molecular formula C11H15N3O4S and a molecular weight of 285.32 g/mol. Its IUPAC name is (2Z)-2-(2-formamido-1,3-thiazol-4-yl)-2-pentoxyiminoacetic acid.

Molecular Properties

Compound Name(2Z)-2-(2-formamido-1,3-thiazol-4-yl)-2-pentoxyiminoacetic acid
PubChem CID12766142
Molecular FormulaC11H15N3O4S
Molecular Weight285.32 g/mol
Exact Mass285.08
IUPAC Name(2Z)-2-(2-formamido-1,3-thiazol-4-yl)-2-pentoxyiminoacetic acid
SMILESCCCCCO/N=C(\C(=O)O)c1csc(NC=O)n1
InChIInChI=1S/C11H15N3O4S/c1-2-3-4-5-18-14-9(10(16)17)8-6-19-11(13-8)12-7-15/h6-7H,2-5H2,1H3,(H,16,17)(H,12,13,15)/b14-9-
InChIKeyFMTFFWAQTXIWNN-ZROIWOOFSA-N
XLogP1.71
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-butoxyimino-2-(2-formamido-1,3-thiazol-4-yl)acetic acid
CID 54132484
2-ethoxyimino-2-(2-formamido-1,3-thiazol-4-yl)acetic acid
CID 54458077
(2Z)-2-(2-aminoethoxyimino)-2-(2-formamido-1,3-thiazol-4-yl)acetic acid
CID 21286885
2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetic acid;hydrochloride
CID 173181360
(6R)-7-[[2-(2-formamido-1,3-thiazol-4-yl)-2-pentoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-3-carboxylic acid
CID 173389501
2-(2-formamido-1,3-thiazol-4-yl)-2-[1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]oxyiminoacetic acid
CID 54528151
(2Z)-2-(2-formamido-1,3-thiazol-4-yl)-2-(thietan-3-yloxyimino)acetic acid
CID 14326067
(2E)-2-propoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid
CID 22816925
(2E)-2-(2-formamido-1,3-thiazol-4-yl)-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yloxyimino]acetic acid
CID 88615804
ethyl (2Z)-2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetate
CID 11118700
(2Z)-2-(2-formamido-1,3-thiazol-4-yl)-2-propan-2-yloxyiminoacetamide
CID 88730387
ethyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-pentoxyiminoacetate
CID 12766140

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(2-formamido-1,3-thiazol-4-yl)-2-pentoxyiminoacetic acid?
The IUPAC name of (2Z)-2-(2-formamido-1,3-thiazol-4-yl)-2-pentoxyiminoacetic acid (CID 12766142) is (2Z)-2-(2-formamido-1,3-thiazol-4-yl)-2-pentoxyiminoacetic acid.
What is the SMILES notation for (2Z)-2-(2-formamido-1,3-thiazol-4-yl)-2-pentoxyiminoacetic acid?
The canonical SMILES for (2Z)-2-(2-formamido-1,3-thiazol-4-yl)-2-pentoxyiminoacetic acid is CCCCCO/N=C(\C(=O)O)c1csc(NC=O)n1.
What is the InChIKey of (2Z)-2-(2-formamido-1,3-thiazol-4-yl)-2-pentoxyiminoacetic acid?
The InChIKey is FMTFFWAQTXIWNN-ZROIWOOFSA-N. The full InChI is InChI=1S/C11H15N3O4S/c1-2-3-4-5-18-14-9(10(16)17)8-6-19-11(13-8)12-7-15/h6-7H,2-5H2,1H3,(H,16,17)(H,12,13,15)/b14-9-.
What are the key properties of (2Z)-2-(2-formamido-1,3-thiazol-4-yl)-2-pentoxyiminoacetic acid?
(2Z)-2-(2-formamido-1,3-thiazol-4-yl)-2-pentoxyiminoacetic acid has a molecular weight of 285.32 g/mol, XLogP of 1.71, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(2-formamido-1,3-thiazol-4-yl)-2-pentoxyiminoacetic acid is sourced from PubChem (CID 12766142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).