2-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide;2-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide;methane;[2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate

C49H48N8O10S4 — CID 159415536

About 2-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide;2-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide;methane;[2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate

2-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide;2-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide;methane;[2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate (PubChem CID 159415536) has the molecular formula C49H48N8O10S4 and a molecular weight of 1037.24 g/mol. Its IUPAC name is 2-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide;2-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide;methane;[2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate.

Molecular Properties

• Compound Name: 2-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide;2-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide;methane;[2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate
• PubChem CID: 159415536
• Molecular Formula: C49H48N8O10S4
• Molecular Weight: 1037.24 g/mol
• Exact Mass: 1036.24
• IUPAC Name: 2-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide;2-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide;methane;[2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate
• SMILES: C.CC(=O)Oc1ccccc1C(=O)Nc1nc(C)cs1.CC(=O)Oc1ccccc1C(=O)Nc1ncc(C)s1.Cc1cnc(NC(=O)c2ccccc2O)s1.Cc1csc(NC(=O)c2ccccc2O)n1
• InChI: InChI=1S/2C13H12N2O3S.2C11H10N2O2S.CH4/c1-8-7-19-13(14-8)15-12(17)10-5-3-4-6-11(10)18-9(2)16;1-8-7-14-13(19-8)15-12(17)10-5-3-4-6-11(10)18-9(2)16;1-7-6-16-11(12-7)13-10(15)8-4-2-3-5-9(8)14;1-7-6-12-11(16-7)13-10(15)8-4-2-3-5-9(8)14;/h2*3-7H,1-2H3,(H,14,15,17);2*2-6,14H,1H3,(H,12,13,15);1H4
• InChIKey: LPCRJKNWNQJFOV-UHFFFAOYSA-N
• XLogP: 10.71
• TPSA: 261.02 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 10
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1037.24
LogP ≤ 5	10.71
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide;2-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide;methane;[2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate?

The IUPAC name of 2-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide;2-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide;methane;[2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate (CID 159415536) is 2-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide;2-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide;methane;[2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate.

What is the SMILES notation for 2-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide;2-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide;methane;[2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate?

The canonical SMILES for 2-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide;2-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide;methane;[2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate is C.CC(=O)Oc1ccccc1C(=O)Nc1nc(C)cs1.CC(=O)Oc1ccccc1C(=O)Nc1ncc(C)s1.Cc1cnc(NC(=O)c2ccccc2O)s1.Cc1csc(NC(=O)c2ccccc2O)n1.

What is the InChIKey of 2-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide;2-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide;methane;[2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate?

The InChIKey is LPCRJKNWNQJFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H12N2O3S.2C11H10N2O2S.CH4/c1-8-7-19-13(14-8)15-12(17)10-5-3-4-6-11(10)18-9(2)16;1-8-7-14-13(19-8)15-12(17)10-5-3-4-6-11(10)18-9(2)16;1-7-6-16-11(12-7)13-10(15)8-4-2-3-5-9(8)14;1-7-6-12-11(16-7)13-10(15)8-4-2-3-5-9(8)14;/h2*3-7H,1-2H3,(H,14,15,17);2*2-6,14H,1H3,(H,12,13,15);1H4.

What are the key properties of 2-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide;2-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide;methane;[2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate?

2-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide;2-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide;methane;[2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate has a molecular weight of 1037.24 g/mol, XLogP of 10.71, 10 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide;2-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide;methane;[2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate is sourced from PubChem (CID 159415536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).