2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-ethoxyiminoacetic acid

C7H8ClN3O3S — CID 54314875

IUPAC2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-ethoxyiminoacetic acid
SMILESCCON=C(C(=O)O)c1nc(N)sc1Cl
InChIInChI=1S/C7H8ClN3O3S/c1-2-14-11-4(6(12)13)3-5(8)15-7(9)10-3/h2H2,1H3,(H2,9,10)(H,12,13)
InChIKeySNLYLTDNBRROTC-UHFFFAOYSA-N
MW249.68 g/mol
LogP1.20
Rot. Bonds4

About 2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-ethoxyiminoacetic acid

2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-ethoxyiminoacetic acid (PubChem CID 54314875) has the molecular formula C7H8ClN3O3S and a molecular weight of 249.68 g/mol. Its IUPAC name is 2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-ethoxyiminoacetic acid.

Molecular Properties

Compound Name2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-ethoxyiminoacetic acid
PubChem CID54314875
Molecular FormulaC7H8ClN3O3S
Molecular Weight249.68 g/mol
Exact Mass249.00
IUPAC Name2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-ethoxyiminoacetic acid
SMILESCCON=C(C(=O)O)c1nc(N)sc1Cl
InChIInChI=1S/C7H8ClN3O3S/c1-2-14-11-4(6(12)13)3-5(8)15-7(9)10-3/h2H2,1H3,(H2,9,10)(H,12,13)
InChIKeySNLYLTDNBRROTC-UHFFFAOYSA-N
XLogP1.20
TPSA97.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.68
LogP ≤ 51.20
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'}

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Related Compounds

2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-propoxyiminoacetic acid
CID 173070149
(2E)-2-[5-chloro-2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-ethoxyiminoacetic acid
CID 22817763
(2Z)-2-(5-chloro-2-methyl-1,3-thiazol-4-yl)-2-(2-fluoroethoxyimino)acetic acid
CID 21138942
(2Z)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-propoxyiminoacetaldehyde
CID 173351801
2-(2-amino-5-methyl-1,3-thiazol-4-yl)-2-methoxyiminoacetic acid
CID 54403172
(2E)-2-[5-chloro-2-(methylamino)-1,3-thiazol-4-yl]-2-[3-(methylamino)propoxyimino]acetic acid
CID 90860149
ethyl 2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-methylpropanoate
CID 86669542
7-[[(2E)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-(carboxymethoxyimino)acetyl]amino]-3-ethyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CID 91615594
bis(diethyl 2-amino-1,3-thiazole-4,5-dicarboxylate);hydrate
CID 139067638
2-(5-amino-1,2,4-thiadiazol-3-yl)-2-hexoxyiminoacetic acid
CID 139612213
(6R)-7-[[2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-(carboxymethoxyimino)acetyl]amino]-3-ethylsulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-3-carboxylic acid
CID 173401915
ethyl 2-(2-amino-5-methyl-1,3-thiazol-4-yl)-2-hydroxyiminoacetate
CID 173275185

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-ethoxyiminoacetic acid?
The IUPAC name of 2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-ethoxyiminoacetic acid (CID 54314875) is 2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-ethoxyiminoacetic acid.
What is the SMILES notation for 2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-ethoxyiminoacetic acid?
The canonical SMILES for 2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-ethoxyiminoacetic acid is CCON=C(C(=O)O)c1nc(N)sc1Cl.
What is the InChIKey of 2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-ethoxyiminoacetic acid?
The InChIKey is SNLYLTDNBRROTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3O3S/c1-2-14-11-4(6(12)13)3-5(8)15-7(9)10-3/h2H2,1H3,(H2,9,10)(H,12,13).
What are the key properties of 2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-ethoxyiminoacetic acid?
2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-ethoxyiminoacetic acid has a molecular weight of 249.68 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-ethoxyiminoacetic acid is sourced from PubChem (CID 54314875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).