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

C65H68N10O12S10 — CID 161415869

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

2-hydroxy-N-[5-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazol-2-yl]benzamide;3-hydroxy-N-[5-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazol-2-yl]benzamide;4-hydroxy-N-[5-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazol-2-yl]benzamide;methane;[2-[[5-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazol-2-yl]carbamoyl]phenyl] acetate;[3-[[5-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazol-2-yl]carbamoyl]phenyl] acetate (PubChem CID 161415869) has the molecular formula C65H68N10O12S10 and a molecular weight of 1501.99 g/mol. Its IUPAC name is 2-hydroxy-N-[5-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazol-2-yl]benzamide;3-hydroxy-N-[5-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazol-2-yl]benzamide;4-hydroxy-N-[5-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazol-2-yl]benzamide;methane;[2-[[5-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazol-2-yl]carbamoyl]phenyl] acetate;[3-[[5-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazol-2-yl]carbamoyl]phenyl] acetate.

Molecular Properties

• Compound Name: 2-hydroxy-N-[5-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazol-2-yl]benzamide;3-hydroxy-N-[5-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazol-2-yl]benzamide;4-hydroxy-N-[5-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazol-2-yl]benzamide;methane;[2-[[5-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazol-2-yl]carbamoyl]phenyl] acetate;[3-[[5-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazol-2-yl]carbamoyl]phenyl] acetate
• PubChem CID: 161415869
• Molecular Formula: C65H68N10O12S10
• Molecular Weight: 1501.99 g/mol
• Exact Mass: 1500.22
• IUPAC Name: 2-hydroxy-N-[5-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazol-2-yl]benzamide;3-hydroxy-N-[5-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazol-2-yl]benzamide;4-hydroxy-N-[5-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazol-2-yl]benzamide;methane;[2-[[5-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazol-2-yl]carbamoyl]phenyl] acetate;[3-[[5-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazol-2-yl]carbamoyl]phenyl] acetate
• SMILES: C.C=S(C)c1cnc(NC(=O)c2ccc(O)cc2)s1.C=S(C)c1cnc(NC(=O)c2cccc(O)c2)s1.C=S(C)c1cnc(NC(=O)c2cccc(OC(C)=O)c2)s1.C=S(C)c1cnc(NC(=O)c2ccccc2O)s1.C=S(C)c1cnc(NC(=O)c2ccccc2OC(C)=O)s1
• InChI: InChI=1S/2C14H14N2O3S2.3C12H12N2O2S2.CH4/c1-9(17)19-11-6-4-5-10(7-11)13(18)16-14-15-8-12(20-14)21(2)3;1-9(17)19-11-7-5-4-6-10(11)13(18)16-14-15-8-12(20-14)21(2)3;1-18(2)10-7-13-12(17-10)14-11(16)8-3-5-9(15)6-4-8;1-18(2)10-7-13-12(17-10)14-11(16)8-4-3-5-9(15)6-8;1-18(2)10-7-13-12(17-10)14-11(16)8-5-3-4-6-9(8)15;/h2*4-8H,2H2,1,3H3,(H,15,16,18);3*3-7,15H,1H2,2H3,(H,13,14,16);1H4
• InChIKey: VWBQQADMGTXKAE-UHFFFAOYSA-N
• XLogP: 15.03
• TPSA: 323.24 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 22
• Rotatable Bonds: 17
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1501.99
LogP ≤ 5	15.03
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	22

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

The IUPAC name of 2-hydroxy-N-[5-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazol-2-yl]benzamide;3-hydroxy-N-[5-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazol-2-yl]benzamide;4-hydroxy-N-[5-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazol-2-yl]benzamide;methane;[2-[[5-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazol-2-yl]carbamoyl]phenyl] acetate;[3-[[5-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazol-2-yl]carbamoyl]phenyl] acetate (CID 161415869) is 2-hydroxy-N-[5-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazol-2-yl]benzamide;3-hydroxy-N-[5-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazol-2-yl]benzamide;4-hydroxy-N-[5-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazol-2-yl]benzamide;methane;[2-[[5-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazol-2-yl]carbamoyl]phenyl] acetate;[3-[[5-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazol-2-yl]carbamoyl]phenyl] acetate.

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

The canonical SMILES for 2-hydroxy-N-[5-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazol-2-yl]benzamide;3-hydroxy-N-[5-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazol-2-yl]benzamide;4-hydroxy-N-[5-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazol-2-yl]benzamide;methane;[2-[[5-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazol-2-yl]carbamoyl]phenyl] acetate;[3-[[5-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazol-2-yl]carbamoyl]phenyl] acetate is C.C=S(C)c1cnc(NC(=O)c2ccc(O)cc2)s1.C=S(C)c1cnc(NC(=O)c2cccc(O)c2)s1.C=S(C)c1cnc(NC(=O)c2cccc(OC(C)=O)c2)s1.C=S(C)c1cnc(NC(=O)c2ccccc2O)s1.C=S(C)c1cnc(NC(=O)c2ccccc2OC(C)=O)s1.

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

The InChIKey is VWBQQADMGTXKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H14N2O3S2.3C12H12N2O2S2.CH4/c1-9(17)19-11-6-4-5-10(7-11)13(18)16-14-15-8-12(20-14)21(2)3;1-9(17)19-11-7-5-4-6-10(11)13(18)16-14-15-8-12(20-14)21(2)3;1-18(2)10-7-13-12(17-10)14-11(16)8-3-5-9(15)6-4-8;1-18(2)10-7-13-12(17-10)14-11(16)8-4-3-5-9(15)6-8;1-18(2)10-7-13-12(17-10)14-11(16)8-5-3-4-6-9(8)15;/h2*4-8H,2H2,1,3H3,(H,15,16,18);3*3-7,15H,1H2,2H3,(H,13,14,16);1H4.

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

2-hydroxy-N-[5-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazol-2-yl]benzamide;3-hydroxy-N-[5-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazol-2-yl]benzamide;4-hydroxy-N-[5-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazol-2-yl]benzamide;methane;[2-[[5-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazol-2-yl]carbamoyl]phenyl] acetate;[3-[[5-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazol-2-yl]carbamoyl]phenyl] acetate has a molecular weight of 1501.99 g/mol, XLogP of 15.03, 17 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-hydroxy-N-[5-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazol-2-yl]benzamide;3-hydroxy-N-[5-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazol-2-yl]benzamide;4-hydroxy-N-[5-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazol-2-yl]benzamide;methane;[2-[[5-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazol-2-yl]carbamoyl]phenyl] acetate;[3-[[5-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazol-2-yl]carbamoyl]phenyl] acetate is sourced from PubChem (CID 161415869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).