sodium (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(thian-4-yloxyimino)acetate

C10H12N3NaO3S2 — CID 23711539

IUPACsodium (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(thian-4-yloxyimino)acetate
SMILESNc1nc(/C(=N/OC2CCSCC2)C(=O)[O-])cs1.[Na+]
InChIInChI=1S/C10H13N3O3S2.Na/c11-10-12-7(5-18-10)8(9(14)15)13-16-6-1-3-17-4-2-6;/h5-6H,1-4H2,(H2,11,12)(H,14,15);/q;+1/p-1/b13-8-;
InChIKeyNPOQVBJFSODUQU-MGAWDJABSA-M
MW309.35 g/mol
LogP-2.90
Rot. Bonds4

About sodium (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(thian-4-yloxyimino)acetate

sodium (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(thian-4-yloxyimino)acetate (PubChem CID 23711539) has the molecular formula C10H12N3NaO3S2 and a molecular weight of 309.35 g/mol. Its IUPAC name is sodium (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(thian-4-yloxyimino)acetate.

Molecular Properties

Compound Namesodium (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(thian-4-yloxyimino)acetate
PubChem CID23711539
Molecular FormulaC10H12N3NaO3S2
Molecular Weight309.35 g/mol
Exact Mass309.02
IUPAC Namesodium (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(thian-4-yloxyimino)acetate
SMILESNc1nc(/C(=N/OC2CCSCC2)C(=O)[O-])cs1.[Na+]
InChIInChI=1S/C10H13N3O3S2.Na/c11-10-12-7(5-18-10)8(9(14)15)13-16-6-1-3-17-4-2-6;/h5-6H,1-4H2,(H2,11,12)(H,14,15);/q;+1/p-1/b13-8-;
InChIKeyNPOQVBJFSODUQU-MGAWDJABSA-M
XLogP-2.90
TPSA100.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 5-2.90
H-Bond Donors ≤ 51
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 sodium (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(thian-4-yloxyimino)acetate 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

sodium (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(4-methylidenecyclohexyl)oxyiminoacetate
CID 23711522
sodium (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[4-(dimethylcarbamoyl)cyclohexyl]oxyiminoacetate
CID 88628135
2-(2-amino-1,3-thiazol-4-yl)-2-cyclopentyloxyiminoethanethioic S-acid
CID 54129320
2-(2-amino-1,3-thiazol-4-yl)-2-cyclopentyloxyiminoacetate;1-methyl-1-prop-2-enylpyrrolidin-1-ium
CID 88633576
(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(4-methylcyclohexyl)oxyiminoacetic acid
CID 21248809
ethyl (2E)-2-(2-amino-1,3-thiazol-4-yl)-2-cyclopentyloxyiminoacetate
CID 21248947
ethyl (2E)-2-(2-amino-1,3-thiazol-4-yl)-2-cyclohexyloxyiminoacetate
CID 19853740
2-(2-amino-1,3-thiazol-4-yl)-2-(4-tert-butylcyclohexyl)oxyiminoacetic acid
CID 54129549
ethyl 2-(2-amino-1,3-thiazol-4-yl)-2-(4-oxocyclohexyl)oxyiminoacetate
CID 54412970
potassium 2-(2-amino-1,3-thiazol-4-yl)-2-trityloxyiminoacetate
CID 139769615
ethyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(3-chlorocyclohexyl)oxyiminoacetate
CID 88627821
(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-[(1R,2R)-2-methoxycyclohexyl]oxyiminoacetic acid
CID 86742865

Frequently Asked Questions

What is the IUPAC name of sodium (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(thian-4-yloxyimino)acetate?
The IUPAC name of sodium (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(thian-4-yloxyimino)acetate (CID 23711539) is sodium (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(thian-4-yloxyimino)acetate.
What is the SMILES notation for sodium (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(thian-4-yloxyimino)acetate?
The canonical SMILES for sodium (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(thian-4-yloxyimino)acetate is Nc1nc(/C(=N/OC2CCSCC2)C(=O)[O-])cs1.[Na+].
What is the InChIKey of sodium (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(thian-4-yloxyimino)acetate?
The InChIKey is NPOQVBJFSODUQU-MGAWDJABSA-M. The full InChI is InChI=1S/C10H13N3O3S2.Na/c11-10-12-7(5-18-10)8(9(14)15)13-16-6-1-3-17-4-2-6;/h5-6H,1-4H2,(H2,11,12)(H,14,15);/q;+1/p-1/b13-8-;.
What are the key properties of sodium (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(thian-4-yloxyimino)acetate?
sodium (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(thian-4-yloxyimino)acetate has a molecular weight of 309.35 g/mol, XLogP of -2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(thian-4-yloxyimino)acetate is sourced from PubChem (CID 23711539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).