2-hydroxy-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide;3-hydroxy-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide;4-hydroxy-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide;[4-[[5-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazol-2-yl]carbamoyl]phenyl] acetate;[2-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[3-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[4-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate

C86H80N14O24S14 — CID 158608756

About 2-hydroxy-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide;3-hydroxy-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide;4-hydroxy-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide;[4-[[5-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazol-2-yl]carbamoyl]phenyl] acetate;[2-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[3-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[4-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate

2-hydroxy-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide;3-hydroxy-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide;4-hydroxy-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide;[4-[[5-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazol-2-yl]carbamoyl]phenyl] acetate;[2-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[3-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[4-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate (PubChem CID 158608756) has the molecular formula C86H80N14O24S14 and a molecular weight of 2142.60 g/mol. Its IUPAC name is 2-hydroxy-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide;3-hydroxy-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide;4-hydroxy-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide;[4-[[5-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazol-2-yl]carbamoyl]phenyl] acetate;[2-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[3-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[4-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate.

Molecular Properties

• Compound Name: 2-hydroxy-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide;3-hydroxy-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide;4-hydroxy-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide;[4-[[5-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazol-2-yl]carbamoyl]phenyl] acetate;[2-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[3-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[4-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate
• PubChem CID: 158608756
• Molecular Formula: C86H80N14O24S14
• Molecular Weight: 2142.60 g/mol
• Exact Mass: 2140.16
• IUPAC Name: 2-hydroxy-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide;3-hydroxy-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide;4-hydroxy-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide;[4-[[5-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazol-2-yl]carbamoyl]phenyl] acetate;[2-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[3-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[4-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate
• SMILES: C=S(C)c1cnc(NC(=O)c2ccc(OC(C)=O)cc2)s1.CC(=O)Oc1ccc(C(=O)Nc2nc(S(C)=O)cs2)cc1.CC(=O)Oc1cccc(C(=O)Nc2nc(S(C)=O)cs2)c1.CC(=O)Oc1ccccc1C(=O)Nc1nc(S(C)=O)cs1.CS(=O)c1csc(NC(=O)c2ccc(O)cc2)n1.CS(=O)c1csc(NC(=O)c2cccc(O)c2)n1.CS(=O)c1csc(NC(=O)c2ccccc2O)n1
• InChI: InChI=1S/C14H14N2O3S2.3C13H12N2O4S2.3C11H10N2O3S2/c1-9(17)19-11-6-4-10(5-7-11)13(18)16-14-15-8-12(20-14)21(2)3;1-8(16)19-10-5-3-9(4-6-10)12(17)15-13-14-11(7-20-13)21(2)18;1-8(16)19-10-5-3-4-9(6-10)12(17)15-13-14-11(7-20-13)21(2)18;1-8(16)19-10-6-4-3-5-9(10)12(17)15-13-14-11(7-20-13)21(2)18;1-18(16)9-6-17-11(12-9)13-10(15)7-2-4-8(14)5-3-7;1-18(16)9-6-17-11(12-9)13-10(15)7-3-2-4-8(14)5-7;1-18(16)9-6-17-11(12-9)13-10(15)7-4-2-3-5-8(7)14/h4-8H,2H2,1,3H3,(H,15,16,18);3*3-7H,1-2H3,(H,14,15,17);3*2-6,14H,1H3,(H,12,13,15)
• InChIKey: HWOJKLAKQDCXOL-UHFFFAOYSA-N
• XLogP: 14.70
• TPSA: 562.24 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 38
• Rotatable Bonds: 25
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2142.60
LogP ≤ 5	14.70
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide;3-hydroxy-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide;4-hydroxy-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide;[4-[[5-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazol-2-yl]carbamoyl]phenyl] acetate;[2-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[3-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[4-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate?

The IUPAC name of 2-hydroxy-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide;3-hydroxy-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide;4-hydroxy-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide;[4-[[5-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazol-2-yl]carbamoyl]phenyl] acetate;[2-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[3-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[4-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate (CID 158608756) is 2-hydroxy-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide;3-hydroxy-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide;4-hydroxy-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide;[4-[[5-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazol-2-yl]carbamoyl]phenyl] acetate;[2-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[3-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[4-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate.

What is the SMILES notation for 2-hydroxy-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide;3-hydroxy-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide;4-hydroxy-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide;[4-[[5-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazol-2-yl]carbamoyl]phenyl] acetate;[2-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[3-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[4-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate?

The canonical SMILES for 2-hydroxy-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide;3-hydroxy-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide;4-hydroxy-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide;[4-[[5-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazol-2-yl]carbamoyl]phenyl] acetate;[2-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[3-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[4-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate is C=S(C)c1cnc(NC(=O)c2ccc(OC(C)=O)cc2)s1.CC(=O)Oc1ccc(C(=O)Nc2nc(S(C)=O)cs2)cc1.CC(=O)Oc1cccc(C(=O)Nc2nc(S(C)=O)cs2)c1.CC(=O)Oc1ccccc1C(=O)Nc1nc(S(C)=O)cs1.CS(=O)c1csc(NC(=O)c2ccc(O)cc2)n1.CS(=O)c1csc(NC(=O)c2cccc(O)c2)n1.CS(=O)c1csc(NC(=O)c2ccccc2O)n1.

What is the InChIKey of 2-hydroxy-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide;3-hydroxy-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide;4-hydroxy-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide;[4-[[5-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazol-2-yl]carbamoyl]phenyl] acetate;[2-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[3-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[4-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate?

The InChIKey is HWOJKLAKQDCXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S2.3C13H12N2O4S2.3C11H10N2O3S2/c1-9(17)19-11-6-4-10(5-7-11)13(18)16-14-15-8-12(20-14)21(2)3;1-8(16)19-10-5-3-9(4-6-10)12(17)15-13-14-11(7-20-13)21(2)18;1-8(16)19-10-5-3-4-9(6-10)12(17)15-13-14-11(7-20-13)21(2)18;1-8(16)19-10-6-4-3-5-9(10)12(17)15-13-14-11(7-20-13)21(2)18;1-18(16)9-6-17-11(12-9)13-10(15)7-2-4-8(14)5-3-7;1-18(16)9-6-17-11(12-9)13-10(15)7-3-2-4-8(14)5-7;1-18(16)9-6-17-11(12-9)13-10(15)7-4-2-3-5-8(7)14/h4-8H,2H2,1,3H3,(H,15,16,18);3*3-7H,1-2H3,(H,14,15,17);3*2-6,14H,1H3,(H,12,13,15).

What are the key properties of 2-hydroxy-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide;3-hydroxy-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide;4-hydroxy-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide;[4-[[5-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazol-2-yl]carbamoyl]phenyl] acetate;[2-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[3-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[4-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate?

2-hydroxy-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide;3-hydroxy-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide;4-hydroxy-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide;[4-[[5-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazol-2-yl]carbamoyl]phenyl] acetate;[2-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[3-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[4-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate has a molecular weight of 2142.60 g/mol, XLogP of 14.70, 25 rotatable bonds, 10 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 2-hydroxy-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide;3-hydroxy-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide;4-hydroxy-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide;[4-[[5-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazol-2-yl]carbamoyl]phenyl] acetate;[2-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[3-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[4-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate is sourced from PubChem (CID 158608756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).