sodium;ethyl [2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] carbonate;2-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide;3-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide;4-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide;2-methylpropyl [2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] carbonate;2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenolate;[2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[3-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[4-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate

C104H80N27NaO43S9 — CID 161065886

About sodium;ethyl [2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] carbonate;2-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide;3-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide;4-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide;2-methylpropyl [2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] carbonate;2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenolate;[2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[3-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[4-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate

sodium;ethyl [2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] carbonate;2-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide;3-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide;4-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide;2-methylpropyl [2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] carbonate;2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenolate;[2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[3-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[4-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate (PubChem CID 161065886) has the molecular formula C104H80N27NaO43S9 and a molecular weight of 2707.52 g/mol. Its IUPAC name is sodium;ethyl [2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] carbonate;2-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide;3-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide;4-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide;2-methylpropyl [2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] carbonate;2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenolate;[2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[3-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[4-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate.

Molecular Properties

• Compound Name: sodium;ethyl [2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] carbonate;2-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide;3-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide;4-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide;2-methylpropyl [2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] carbonate;2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenolate;[2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[3-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[4-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate
• PubChem CID: 161065886
• Molecular Formula: C104H80N27NaO43S9
• Molecular Weight: 2707.52 g/mol
• Exact Mass: 2705.23
• IUPAC Name: sodium;ethyl [2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] carbonate;2-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide;3-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide;4-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide;2-methylpropyl [2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] carbonate;2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenolate;[2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[3-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[4-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate
• SMILES: CC(=O)Oc1ccc(C(=O)Nc2ncc([N+](=O)[O-])s2)cc1.CC(=O)Oc1cccc(C(=O)Nc2ncc([N+](=O)[O-])s2)c1.CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1.CC(C)COC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1.CCOC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1.O=C(Nc1ncc([N+](=O)[O-])s1)c1ccc(O)cc1.O=C(Nc1ncc([N+](=O)[O-])s1)c1cccc(O)c1.O=C(Nc1ncc([N+](=O)[O-])s1)c1ccccc1O.O=C(Nc1ncc([N+](=O)[O-])s1)c1ccccc1[O-].[Na+]
• InChI: InChI=1S/C15H15N3O6S.C13H11N3O6S.3C12H9N3O5S.4C10H7N3O4S.Na/c1-9(2)8-23-15(20)24-11-6-4-3-5-10(11)13(19)17-14-16-7-12(25-14)18(21)22;1-2-21-13(18)22-9-6-4-3-5-8(9)11(17)15-12-14-7-10(23-12)16(19)20;1-7(16)20-9-4-2-8(3-5-9)11(17)14-12-13-6-10(21-12)15(18)19;1-7(16)20-9-4-2-3-8(5-9)11(17)14-12-13-6-10(21-12)15(18)19;1-7(16)20-9-5-3-2-4-8(9)11(17)14-12-13-6-10(21-12)15(18)19;14-7-3-1-6(2-4-7)9(15)12-10-11-5-8(18-10)13(16)17;14-7-3-1-2-6(4-7)9(15)12-10-11-5-8(18-10)13(16)17;2*14-7-4-2-1-3-6(7)9(15)12-10-11-5-8(18-10)13(16)17;/h3-7,9H,8H2,1-2H3,(H,16,17,19);3-7H,2H2,1H3,(H,14,15,17);3*2-6H,1H3,(H,13,14,17);4*1-5,14H,(H,11,12,15);/q;;;;;;;;;+1/p-1
• InChIKey: JEMAXEVMUGEWBP-UHFFFAOYSA-M
• XLogP: 17.41
• TPSA: 999.88 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 61
• Rotatable Bonds: 35
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2707.52
LogP ≤ 5	17.41
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	61

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;ethyl [2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] carbonate;2-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide;3-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide;4-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide;2-methylpropyl [2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] carbonate;2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenolate;[2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[3-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[4-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate?

The IUPAC name of sodium;ethyl [2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] carbonate;2-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide;3-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide;4-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide;2-methylpropyl [2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] carbonate;2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenolate;[2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[3-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[4-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate (CID 161065886) is sodium;ethyl [2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] carbonate;2-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide;3-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide;4-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide;2-methylpropyl [2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] carbonate;2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenolate;[2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[3-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[4-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate.

What is the SMILES notation for sodium;ethyl [2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] carbonate;2-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide;3-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide;4-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide;2-methylpropyl [2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] carbonate;2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenolate;[2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[3-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[4-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate?

The canonical SMILES for sodium;ethyl [2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] carbonate;2-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide;3-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide;4-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide;2-methylpropyl [2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] carbonate;2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenolate;[2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[3-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[4-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate is CC(=O)Oc1ccc(C(=O)Nc2ncc([N+](=O)[O-])s2)cc1.CC(=O)Oc1cccc(C(=O)Nc2ncc([N+](=O)[O-])s2)c1.CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1.CC(C)COC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1.CCOC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1.O=C(Nc1ncc([N+](=O)[O-])s1)c1ccc(O)cc1.O=C(Nc1ncc([N+](=O)[O-])s1)c1cccc(O)c1.O=C(Nc1ncc([N+](=O)[O-])s1)c1ccccc1O.O=C(Nc1ncc([N+](=O)[O-])s1)c1ccccc1[O-].[Na+].

What is the InChIKey of sodium;ethyl [2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] carbonate;2-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide;3-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide;4-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide;2-methylpropyl [2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] carbonate;2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenolate;[2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[3-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[4-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate?

The InChIKey is JEMAXEVMUGEWBP-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H15N3O6S.C13H11N3O6S.3C12H9N3O5S.4C10H7N3O4S.Na/c1-9(2)8-23-15(20)24-11-6-4-3-5-10(11)13(19)17-14-16-7-12(25-14)18(21)22;1-2-21-13(18)22-9-6-4-3-5-8(9)11(17)15-12-14-7-10(23-12)16(19)20;1-7(16)20-9-4-2-8(3-5-9)11(17)14-12-13-6-10(21-12)15(18)19;1-7(16)20-9-4-2-3-8(5-9)11(17)14-12-13-6-10(21-12)15(18)19;1-7(16)20-9-5-3-2-4-8(9)11(17)14-12-13-6-10(21-12)15(18)19;14-7-3-1-6(2-4-7)9(15)12-10-11-5-8(18-10)13(16)17;14-7-3-1-2-6(4-7)9(15)12-10-11-5-8(18-10)13(16)17;2*14-7-4-2-1-3-6(7)9(15)12-10-11-5-8(18-10)13(16)17;/h3-7,9H,8H2,1-2H3,(H,16,17,19);3-7H,2H2,1H3,(H,14,15,17);3*2-6H,1H3,(H,13,14,17);4*1-5,14H,(H,11,12,15);/q;;;;;;;;;+1/p-1.

What are the key properties of sodium;ethyl [2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] carbonate;2-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide;3-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide;4-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide;2-methylpropyl [2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] carbonate;2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenolate;[2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[3-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[4-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate?

sodium;ethyl [2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] carbonate;2-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide;3-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide;4-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide;2-methylpropyl [2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] carbonate;2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenolate;[2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[3-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[4-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate has a molecular weight of 2707.52 g/mol, XLogP of 17.41, 35 rotatable bonds, 12 hydrogen bond donors, and 61 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;ethyl [2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] carbonate;2-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide;3-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide;4-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide;2-methylpropyl [2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] carbonate;2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenolate;[2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[3-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[4-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate is sourced from PubChem (CID 161065886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).