(2E)-2-[2-(ethoxycarbonylamino)-1,3-thiazol-4-yl]-2-methoxyiminoacetic acid

C9H11N3O5S — CID 22827748

IUPAC(2E)-2-[2-(ethoxycarbonylamino)-1,3-thiazol-4-yl]-2-methoxyiminoacetic acid
SMILESCCOC(=O)Nc1nc(/C(=N\OC)C(=O)O)cs1
InChIInChI=1S/C9H11N3O5S/c1-3-17-9(15)11-8-10-5(4-18-8)6(7(13)14)12-16-2/h4H,3H2,1-2H3,(H,13,14)(H,10,11,15)/b12-6+
InChIKeyBERWYGWMMSDUTE-WUXMJOGZSA-N
MW273.27 g/mol
LogP1.15
Rot. Bonds5

About (2E)-2-[2-(ethoxycarbonylamino)-1,3-thiazol-4-yl]-2-methoxyiminoacetic acid

(2E)-2-[2-(ethoxycarbonylamino)-1,3-thiazol-4-yl]-2-methoxyiminoacetic acid (PubChem CID 22827748) has the molecular formula C9H11N3O5S and a molecular weight of 273.27 g/mol. Its IUPAC name is (2E)-2-[2-(ethoxycarbonylamino)-1,3-thiazol-4-yl]-2-methoxyiminoacetic acid.

Molecular Properties

Compound Name(2E)-2-[2-(ethoxycarbonylamino)-1,3-thiazol-4-yl]-2-methoxyiminoacetic acid
PubChem CID22827748
Molecular FormulaC9H11N3O5S
Molecular Weight273.27 g/mol
Exact Mass273.04
IUPAC Name(2E)-2-[2-(ethoxycarbonylamino)-1,3-thiazol-4-yl]-2-methoxyiminoacetic acid
SMILESCCOC(=O)Nc1nc(/C(=N\OC)C(=O)O)cs1
InChIInChI=1S/C9H11N3O5S/c1-3-17-9(15)11-8-10-5(4-18-8)6(7(13)14)12-16-2/h4H,3H2,1-2H3,(H,13,14)(H,10,11,15)/b12-6+
InChIKeyBERWYGWMMSDUTE-WUXMJOGZSA-N
XLogP1.15
TPSA110.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 51.15
H-Bond Donors ≤ 52
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 (2E)-2-[2-(ethoxycarbonylamino)-1,3-thiazol-4-yl]-2-methoxyiminoacetic acid 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

(2E)-2-methoxyimino-2-[2-(2-methylpropoxycarbonylamino)-1,3-thiazol-4-yl]acetic acid
CID 22827749
2-[2-(diethoxyphosphorylamino)-1,3-thiazol-4-yl]-2-methoxyiminoacetic acid
CID 54481551
ethyl 2-methoxyimino-2-[2-[(3-methoxy-2-oxopropanoyl)amino]-1,3-thiazol-4-yl]acetate
CID 139755450
ethyl 2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetate
CID 3593442
(2E)-2-methoxyimino-2-[2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 10133855
2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetic acid;hydrochloride
CID 173181360
(2Z)-2-(2-acetamido-1,3-thiazol-4-yl)-2-methoxyiminoacetamide
CID 141367897
2-methoxyimino-2-[2-[(4-methylphenyl)methylamino]-1,3-thiazol-4-yl]acetic acid
CID 175344426
(2E)-2-(2-methoxy-2-oxoethoxy)imino-2-[2-(phenylmethoxycarbonylamino)-1,3-thiazol-4-yl]acetic acid
CID 87932600
ethyl (2Z)-2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetate
CID 11118700
ethyl 2-methoxyimino-2-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 142667304
methyl 2-(2-acetamido-1,3-thiazol-4-yl)-2-methoxyiminoacetate
CID 54179551

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[2-(ethoxycarbonylamino)-1,3-thiazol-4-yl]-2-methoxyiminoacetic acid?
The IUPAC name of (2E)-2-[2-(ethoxycarbonylamino)-1,3-thiazol-4-yl]-2-methoxyiminoacetic acid (CID 22827748) is (2E)-2-[2-(ethoxycarbonylamino)-1,3-thiazol-4-yl]-2-methoxyiminoacetic acid.
What is the SMILES notation for (2E)-2-[2-(ethoxycarbonylamino)-1,3-thiazol-4-yl]-2-methoxyiminoacetic acid?
The canonical SMILES for (2E)-2-[2-(ethoxycarbonylamino)-1,3-thiazol-4-yl]-2-methoxyiminoacetic acid is CCOC(=O)Nc1nc(/C(=N\OC)C(=O)O)cs1.
What is the InChIKey of (2E)-2-[2-(ethoxycarbonylamino)-1,3-thiazol-4-yl]-2-methoxyiminoacetic acid?
The InChIKey is BERWYGWMMSDUTE-WUXMJOGZSA-N. The full InChI is InChI=1S/C9H11N3O5S/c1-3-17-9(15)11-8-10-5(4-18-8)6(7(13)14)12-16-2/h4H,3H2,1-2H3,(H,13,14)(H,10,11,15)/b12-6+.
What are the key properties of (2E)-2-[2-(ethoxycarbonylamino)-1,3-thiazol-4-yl]-2-methoxyiminoacetic acid?
(2E)-2-[2-(ethoxycarbonylamino)-1,3-thiazol-4-yl]-2-methoxyiminoacetic acid has a molecular weight of 273.27 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[2-(ethoxycarbonylamino)-1,3-thiazol-4-yl]-2-methoxyiminoacetic acid is sourced from PubChem (CID 22827748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).