[5-cyclopropyl-2-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;5-fluoro-2-hydroxy-3-methyl-N-(5-methylsulfinyl-1,3-thiazol-2-yl)benzamide;5-[(4-fluorophenyl)methoxy]-2-hydroxy-N-(5-methylsulfinyl-1,3-thiazol-2-yl)benzamide;[4-[(4-fluorophenyl)methoxy]-2-[(5-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;2-hydroxy-5-methyl-N-(5-methylsulfinyl-1,3-thiazol-2-yl)benzamide

C78H71F3N10O19S10 — CID 157189466

About [5-cyclopropyl-2-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;5-fluoro-2-hydroxy-3-methyl-N-(5-methylsulfinyl-1,3-thiazol-2-yl)benzamide;5-[(4-fluorophenyl)methoxy]-2-hydroxy-N-(5-methylsulfinyl-1,3-thiazol-2-yl)benzamide;[4-[(4-fluorophenyl)methoxy]-2-[(5-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;2-hydroxy-5-methyl-N-(5-methylsulfinyl-1,3-thiazol-2-yl)benzamide

[5-cyclopropyl-2-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;5-fluoro-2-hydroxy-3-methyl-N-(5-methylsulfinyl-1,3-thiazol-2-yl)benzamide;5-[(4-fluorophenyl)methoxy]-2-hydroxy-N-(5-methylsulfinyl-1,3-thiazol-2-yl)benzamide;[4-[(4-fluorophenyl)methoxy]-2-[(5-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;2-hydroxy-5-methyl-N-(5-methylsulfinyl-1,3-thiazol-2-yl)benzamide (PubChem CID 157189466) has the molecular formula C78H71F3N10O19S10 and a molecular weight of 1830.14 g/mol. Its IUPAC name is [5-cyclopropyl-2-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;5-fluoro-2-hydroxy-3-methyl-N-(5-methylsulfinyl-1,3-thiazol-2-yl)benzamide;5-[(4-fluorophenyl)methoxy]-2-hydroxy-N-(5-methylsulfinyl-1,3-thiazol-2-yl)benzamide;[4-[(4-fluorophenyl)methoxy]-2-[(5-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;2-hydroxy-5-methyl-N-(5-methylsulfinyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

• Compound Name: [5-cyclopropyl-2-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;5-fluoro-2-hydroxy-3-methyl-N-(5-methylsulfinyl-1,3-thiazol-2-yl)benzamide;5-[(4-fluorophenyl)methoxy]-2-hydroxy-N-(5-methylsulfinyl-1,3-thiazol-2-yl)benzamide;[4-[(4-fluorophenyl)methoxy]-2-[(5-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;2-hydroxy-5-methyl-N-(5-methylsulfinyl-1,3-thiazol-2-yl)benzamide
• PubChem CID: 157189466
• Molecular Formula: C78H71F3N10O19S10
• Molecular Weight: 1830.14 g/mol
• Exact Mass: 1828.21
• IUPAC Name: [5-cyclopropyl-2-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;5-fluoro-2-hydroxy-3-methyl-N-(5-methylsulfinyl-1,3-thiazol-2-yl)benzamide;5-[(4-fluorophenyl)methoxy]-2-hydroxy-N-(5-methylsulfinyl-1,3-thiazol-2-yl)benzamide;[4-[(4-fluorophenyl)methoxy]-2-[(5-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;2-hydroxy-5-methyl-N-(5-methylsulfinyl-1,3-thiazol-2-yl)benzamide
• SMILES: CC(=O)Oc1cc(C2CC2)ccc1C(=O)Nc1nc(S(C)=O)cs1.CC(=O)Oc1ccc(OCc2ccc(F)cc2)cc1C(=O)Nc1ncc(S(C)=O)s1.CS(=O)c1cnc(NC(=O)c2cc(OCc3ccc(F)cc3)ccc2O)s1.Cc1cc(F)cc(C(=O)Nc2ncc(S(C)=O)s2)c1O.Cc1ccc(O)c(C(=O)Nc2ncc(S(C)=O)s2)c1
• InChI: InChI=1S/C20H17FN2O5S2.C18H15FN2O4S2.C16H16N2O4S2.C12H11FN2O3S2.C12H12N2O3S2/c1-12(24)28-17-8-7-15(27-11-13-3-5-14(21)6-4-13)9-16(17)19(25)23-20-22-10-18(29-20)30(2)26;1-27(24)16-9-20-18(26-16)21-17(23)14-8-13(6-7-15(14)22)25-10-11-2-4-12(19)5-3-11;1-9(19)22-13-7-11(10-3-4-10)5-6-12(13)15(20)18-16-17-14(8-23-16)24(2)21;1-6-3-7(13)4-8(10(6)16)11(17)15-12-14-5-9(19-12)20(2)18;1-7-3-4-9(15)8(5-7)11(16)14-12-13-6-10(18-12)19(2)17/h3-10H,11H2,1-2H3,(H,22,23,25);2-9,22H,10H2,1H3,(H,20,21,23);5-8,10H,3-4H2,1-2H3,(H,17,18,20);3-5,16H,1-2H3,(H,14,15,17);3-6,15H,1-2H3,(H,13,14,16)
• InChIKey: APNGBTZCGJDAOU-UHFFFAOYSA-N
• XLogP: 14.70
• TPSA: 427.05 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 29
• Rotatable Bonds: 24
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1830.14
LogP ≤ 5	14.70
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of [5-cyclopropyl-2-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;5-fluoro-2-hydroxy-3-methyl-N-(5-methylsulfinyl-1,3-thiazol-2-yl)benzamide;5-[(4-fluorophenyl)methoxy]-2-hydroxy-N-(5-methylsulfinyl-1,3-thiazol-2-yl)benzamide;[4-[(4-fluorophenyl)methoxy]-2-[(5-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;2-hydroxy-5-methyl-N-(5-methylsulfinyl-1,3-thiazol-2-yl)benzamide (CID 157189466) is [5-cyclopropyl-2-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;5-fluoro-2-hydroxy-3-methyl-N-(5-methylsulfinyl-1,3-thiazol-2-yl)benzamide;5-[(4-fluorophenyl)methoxy]-2-hydroxy-N-(5-methylsulfinyl-1,3-thiazol-2-yl)benzamide;[4-[(4-fluorophenyl)methoxy]-2-[(5-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;2-hydroxy-5-methyl-N-(5-methylsulfinyl-1,3-thiazol-2-yl)benzamide.

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

The canonical SMILES for [5-cyclopropyl-2-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;5-fluoro-2-hydroxy-3-methyl-N-(5-methylsulfinyl-1,3-thiazol-2-yl)benzamide;5-[(4-fluorophenyl)methoxy]-2-hydroxy-N-(5-methylsulfinyl-1,3-thiazol-2-yl)benzamide;[4-[(4-fluorophenyl)methoxy]-2-[(5-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;2-hydroxy-5-methyl-N-(5-methylsulfinyl-1,3-thiazol-2-yl)benzamide is CC(=O)Oc1cc(C2CC2)ccc1C(=O)Nc1nc(S(C)=O)cs1.CC(=O)Oc1ccc(OCc2ccc(F)cc2)cc1C(=O)Nc1ncc(S(C)=O)s1.CS(=O)c1cnc(NC(=O)c2cc(OCc3ccc(F)cc3)ccc2O)s1.Cc1cc(F)cc(C(=O)Nc2ncc(S(C)=O)s2)c1O.Cc1ccc(O)c(C(=O)Nc2ncc(S(C)=O)s2)c1.

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

The InChIKey is APNGBTZCGJDAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O5S2.C18H15FN2O4S2.C16H16N2O4S2.C12H11FN2O3S2.C12H12N2O3S2/c1-12(24)28-17-8-7-15(27-11-13-3-5-14(21)6-4-13)9-16(17)19(25)23-20-22-10-18(29-20)30(2)26;1-27(24)16-9-20-18(26-16)21-17(23)14-8-13(6-7-15(14)22)25-10-11-2-4-12(19)5-3-11;1-9(19)22-13-7-11(10-3-4-10)5-6-12(13)15(20)18-16-17-14(8-23-16)24(2)21;1-6-3-7(13)4-8(10(6)16)11(17)15-12-14-5-9(19-12)20(2)18;1-7-3-4-9(15)8(5-7)11(16)14-12-13-6-10(18-12)19(2)17/h3-10H,11H2,1-2H3,(H,22,23,25);2-9,22H,10H2,1H3,(H,20,21,23);5-8,10H,3-4H2,1-2H3,(H,17,18,20);3-5,16H,1-2H3,(H,14,15,17);3-6,15H,1-2H3,(H,13,14,16).

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

[5-cyclopropyl-2-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;5-fluoro-2-hydroxy-3-methyl-N-(5-methylsulfinyl-1,3-thiazol-2-yl)benzamide;5-[(4-fluorophenyl)methoxy]-2-hydroxy-N-(5-methylsulfinyl-1,3-thiazol-2-yl)benzamide;[4-[(4-fluorophenyl)methoxy]-2-[(5-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;2-hydroxy-5-methyl-N-(5-methylsulfinyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 1830.14 g/mol, XLogP of 14.70, 24 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for [5-cyclopropyl-2-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;5-fluoro-2-hydroxy-3-methyl-N-(5-methylsulfinyl-1,3-thiazol-2-yl)benzamide;5-[(4-fluorophenyl)methoxy]-2-hydroxy-N-(5-methylsulfinyl-1,3-thiazol-2-yl)benzamide;[4-[(4-fluorophenyl)methoxy]-2-[(5-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;2-hydroxy-5-methyl-N-(5-methylsulfinyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 157189466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).