sodium (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[4-(dimethylcarbamoyl)cyclohexyl]oxyiminoacetate

C14H19N4NaO4S — CID 88628135

IUPACsodium (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[4-(dimethylcarbamoyl)cyclohexyl]oxyiminoacetate
SMILESCN(C)C(=O)C1CCC(O/N=C(\C(=O)[O-])c2csc(N)n2)CC1.[Na+]
InChIInChI=1S/C14H20N4O4S.Na/c1-18(2)12(19)8-3-5-9(6-4-8)22-17-11(13(20)21)10-7-23-14(15)16-10;/h7-9H,3-6H2,1-2H3,(H2,15,16)(H,20,21);/q;+1/p-1/b17-11-;
InChIKeyCAPMFHBOUSIWSQ-CULRIWENSA-M
MW362.39 g/mol
LogP-3.15
Rot. Bonds5

About sodium (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[4-(dimethylcarbamoyl)cyclohexyl]oxyiminoacetate

sodium (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[4-(dimethylcarbamoyl)cyclohexyl]oxyiminoacetate (PubChem CID 88628135) has the molecular formula C14H19N4NaO4S and a molecular weight of 362.39 g/mol. Its IUPAC name is sodium (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[4-(dimethylcarbamoyl)cyclohexyl]oxyiminoacetate.

Molecular Properties

Compound Namesodium (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[4-(dimethylcarbamoyl)cyclohexyl]oxyiminoacetate
PubChem CID88628135
Molecular FormulaC14H19N4NaO4S
Molecular Weight362.39 g/mol
Exact Mass362.10
IUPAC Namesodium (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[4-(dimethylcarbamoyl)cyclohexyl]oxyiminoacetate
SMILESCN(C)C(=O)C1CCC(O/N=C(\C(=O)[O-])c2csc(N)n2)CC1.[Na+]
InChIInChI=1S/C14H20N4O4S.Na/c1-18(2)12(19)8-3-5-9(6-4-8)22-17-11(13(20)21)10-7-23-14(15)16-10;/h7-9H,3-6H2,1-2H3,(H2,15,16)(H,20,21);/q;+1/p-1/b17-11-;
InChIKeyCAPMFHBOUSIWSQ-CULRIWENSA-M
XLogP-3.15
TPSA120.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 5-3.15
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-[4-(dimethylcarbamoyl)cyclohexyl]oxyiminoacetate 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-(thian-4-yloxyimino)acetate
CID 23711539
sodium (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(4-methylidenecyclohexyl)oxyiminoacetate
CID 23711522
(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(4-methylcyclohexyl)oxyiminoacetic acid
CID 21248809
(2S,5R,6S)-6-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[4-(dimethylcarbamoyl)cyclohexyl]oxyiminoacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CID 88627228
ethyl (2E)-2-(2-amino-1,3-thiazol-4-yl)-2-cyclopentyloxyiminoacetate
CID 21248947
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
2-(2-amino-1,3-thiazol-4-yl)-2-(4-tert-butylcyclohexyl)oxyiminoacetic acid
CID 54129549
ethyl (2E)-2-(2-amino-1,3-thiazol-4-yl)-2-cyclohexyloxyiminoacetate
CID 19853740
ethyl 2-(2-amino-1,3-thiazol-4-yl)-2-(4-oxocyclohexyl)oxyiminoacetate
CID 54412970
ethyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(3-chlorocyclohexyl)oxyiminoacetate
CID 88627821
potassium 2-(2-amino-1,3-thiazol-4-yl)-2-trityloxyiminoacetate
CID 139769615

Frequently Asked Questions

What is the IUPAC name of sodium (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[4-(dimethylcarbamoyl)cyclohexyl]oxyiminoacetate?
The IUPAC name of sodium (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[4-(dimethylcarbamoyl)cyclohexyl]oxyiminoacetate (CID 88628135) is sodium (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[4-(dimethylcarbamoyl)cyclohexyl]oxyiminoacetate.
What is the SMILES notation for sodium (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[4-(dimethylcarbamoyl)cyclohexyl]oxyiminoacetate?
The canonical SMILES for sodium (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[4-(dimethylcarbamoyl)cyclohexyl]oxyiminoacetate is CN(C)C(=O)C1CCC(O/N=C(\C(=O)[O-])c2csc(N)n2)CC1.[Na+].
What is the InChIKey of sodium (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[4-(dimethylcarbamoyl)cyclohexyl]oxyiminoacetate?
The InChIKey is CAPMFHBOUSIWSQ-CULRIWENSA-M. The full InChI is InChI=1S/C14H20N4O4S.Na/c1-18(2)12(19)8-3-5-9(6-4-8)22-17-11(13(20)21)10-7-23-14(15)16-10;/h7-9H,3-6H2,1-2H3,(H2,15,16)(H,20,21);/q;+1/p-1/b17-11-;.
What are the key properties of sodium (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[4-(dimethylcarbamoyl)cyclohexyl]oxyiminoacetate?
sodium (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[4-(dimethylcarbamoyl)cyclohexyl]oxyiminoacetate has a molecular weight of 362.39 g/mol, XLogP of -3.15, 5 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-[4-(dimethylcarbamoyl)cyclohexyl]oxyiminoacetate is sourced from PubChem (CID 88628135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).