(3R,6S)-3-(2,4-difluorophenyl)-3,6-dimethyl-1,1-dioxo-6-phenyl-2H-1,4-thiazin-5-amine;(3R)-3-(2,5-difluorophenyl)-3,6-dimethyl-6-[(2-methyl-1,3-benzothiazol-5-yl)methyl]-1,1-dioxo-2H-1,4-thiazin-5-amine;(3R,6R)-3-(2,4-difluorophenyl)-3,6-dimethyl-6-[(3-methylphenyl)methyl]-1,1-dioxo-2H-1,4-thiazin-5-amine;(3R,6S)-3-(2,4-difluorophenyl)-6-(3-ethylphenyl)-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine;(3R,6R)-3-(2,5-difluorophenyl)-6-(3-ethylphenyl)-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine;(3R,6S)-3-(2,5-difluorophenyl)-6-(3-ethylphenyl)-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine

C119H127F12N13O12S7 — CID 159012711

About (3R,6S)-3-(2,4-difluorophenyl)-3,6-dimethyl-1,1-dioxo-6-phenyl-2H-1,4-thiazin-5-amine;(3R)-3-(2,5-difluorophenyl)-3,6-dimethyl-6-[(2-methyl-1,3-benzothiazol-5-yl)methyl]-1,1-dioxo-2H-1,4-thiazin-5-amine;(3R,6R)-3-(2,4-difluorophenyl)-3,6-dimethyl-6-[(3-methylphenyl)methyl]-1,1-dioxo-2H-1,4-thiazin-5-amine;(3R,6S)-3-(2,4-difluorophenyl)-6-(3-ethylphenyl)-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine;(3R,6R)-3-(2,5-difluorophenyl)-6-(3-ethylphenyl)-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine;(3R,6S)-3-(2,5-difluorophenyl)-6-(3-ethylphenyl)-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine

(3R,6S)-3-(2,4-difluorophenyl)-3,6-dimethyl-1,1-dioxo-6-phenyl-2H-1,4-thiazin-5-amine;(3R)-3-(2,5-difluorophenyl)-3,6-dimethyl-6-[(2-methyl-1,3-benzothiazol-5-yl)methyl]-1,1-dioxo-2H-1,4-thiazin-5-amine;(3R,6R)-3-(2,4-difluorophenyl)-3,6-dimethyl-6-[(3-methylphenyl)methyl]-1,1-dioxo-2H-1,4-thiazin-5-amine;(3R,6S)-3-(2,4-difluorophenyl)-6-(3-ethylphenyl)-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine;(3R,6R)-3-(2,5-difluorophenyl)-6-(3-ethylphenyl)-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine;(3R,6S)-3-(2,5-difluorophenyl)-6-(3-ethylphenyl)-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine (PubChem CID 159012711) has the molecular formula C119H127F12N13O12S7 and a molecular weight of 2383.85 g/mol. Its IUPAC name is (3R,6S)-3-(2,4-difluorophenyl)-3,6-dimethyl-1,1-dioxo-6-phenyl-2H-1,4-thiazin-5-amine;(3R)-3-(2,5-difluorophenyl)-3,6-dimethyl-6-[(2-methyl-1,3-benzothiazol-5-yl)methyl]-1,1-dioxo-2H-1,4-thiazin-5-amine;(3R,6R)-3-(2,4-difluorophenyl)-3,6-dimethyl-6-[(3-methylphenyl)methyl]-1,1-dioxo-2H-1,4-thiazin-5-amine;(3R,6S)-3-(2,4-difluorophenyl)-6-(3-ethylphenyl)-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine;(3R,6R)-3-(2,5-difluorophenyl)-6-(3-ethylphenyl)-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine;(3R,6S)-3-(2,5-difluorophenyl)-6-(3-ethylphenyl)-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine.

Molecular Properties

• Compound Name: (3R,6S)-3-(2,4-difluorophenyl)-3,6-dimethyl-1,1-dioxo-6-phenyl-2H-1,4-thiazin-5-amine;(3R)-3-(2,5-difluorophenyl)-3,6-dimethyl-6-[(2-methyl-1,3-benzothiazol-5-yl)methyl]-1,1-dioxo-2H-1,4-thiazin-5-amine;(3R,6R)-3-(2,4-difluorophenyl)-3,6-dimethyl-6-[(3-methylphenyl)methyl]-1,1-dioxo-2H-1,4-thiazin-5-amine;(3R,6S)-3-(2,4-difluorophenyl)-6-(3-ethylphenyl)-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine;(3R,6R)-3-(2,5-difluorophenyl)-6-(3-ethylphenyl)-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine;(3R,6S)-3-(2,5-difluorophenyl)-6-(3-ethylphenyl)-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine
• PubChem CID: 159012711
• Molecular Formula: C119H127F12N13O12S7
• Molecular Weight: 2383.85 g/mol
• Exact Mass: 2381.76
• IUPAC Name: (3R,6S)-3-(2,4-difluorophenyl)-3,6-dimethyl-1,1-dioxo-6-phenyl-2H-1,4-thiazin-5-amine;(3R)-3-(2,5-difluorophenyl)-3,6-dimethyl-6-[(2-methyl-1,3-benzothiazol-5-yl)methyl]-1,1-dioxo-2H-1,4-thiazin-5-amine;(3R,6R)-3-(2,4-difluorophenyl)-3,6-dimethyl-6-[(3-methylphenyl)methyl]-1,1-dioxo-2H-1,4-thiazin-5-amine;(3R,6S)-3-(2,4-difluorophenyl)-6-(3-ethylphenyl)-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine;(3R,6R)-3-(2,5-difluorophenyl)-6-(3-ethylphenyl)-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine;(3R,6S)-3-(2,5-difluorophenyl)-6-(3-ethylphenyl)-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine
• SMILES: CCc1cccc([C@@]2(C)C(N)=N[C@](C)(c3cc(F)ccc3F)CS2(=O)=O)c1.CCc1cccc([C@@]2(C)C(N)=N[C@](C)(c3ccc(F)cc3F)CS2(=O)=O)c1.CCc1cccc([C@]2(C)C(N)=N[C@](C)(c3cc(F)ccc3F)CS2(=O)=O)c1.C[C@@]1(c2ccc(F)cc2F)CS(=O)(=O)[C@@](C)(c2ccccc2)C(N)=N1.Cc1cccc(C[C@]2(C)C(N)=N[C@](C)(c3ccc(F)cc3F)CS2(=O)=O)c1.Cc1nc2cc(CC3(C)C(N)=N[C@](C)(c4cc(F)ccc4F)CS3(=O)=O)ccc2s1
• InChI: InChI=1S/C21H21F2N3O2S2.4C20H22F2N2O2S.C18H18F2N2O2S/c1-12-25-17-8-13(4-7-18(17)29-12)10-21(3)19(24)26-20(2,11-30(21,27)28)15-9-14(22)5-6-16(15)23;1-13-5-4-6-14(9-13)11-20(3)18(23)24-19(2,12-27(20,25)26)16-8-7-15(21)10-17(16)22;2*1-4-13-6-5-7-14(10-13)20(3)18(23)24-19(2,12-27(20,25)26)16-11-15(21)8-9-17(16)22;1-4-13-6-5-7-14(10-13)20(3)18(23)24-19(2,12-27(20,25)26)16-9-8-15(21)11-17(16)22;1-17(14-9-8-13(19)10-15(14)20)11-25(23,24)18(2,16(21)22-17)12-6-4-3-5-7-12/h4-9H,10-11H2,1-3H3,(H2,24,26);4-10H,11-12H2,1-3H3,(H2,23,24);3*5-11H,4,12H2,1-3H3,(H2,23,24);3-10H,11H2,1-2H3,(H2,21,22)/t20-,21?;2*19-,20+;2*19-,20-;17-,18-/m000000/s1
• InChIKey: JSRSBROJYAXPNW-OIMSLHFLSA-N
• XLogP: 20.37
• TPSA: 448.01 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 17
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2383.85
LogP ≤ 5	20.37
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of (3R,6S)-3-(2,4-difluorophenyl)-3,6-dimethyl-1,1-dioxo-6-phenyl-2H-1,4-thiazin-5-amine;(3R)-3-(2,5-difluorophenyl)-3,6-dimethyl-6-[(2-methyl-1,3-benzothiazol-5-yl)methyl]-1,1-dioxo-2H-1,4-thiazin-5-amine;(3R,6R)-3-(2,4-difluorophenyl)-3,6-dimethyl-6-[(3-methylphenyl)methyl]-1,1-dioxo-2H-1,4-thiazin-5-amine;(3R,6S)-3-(2,4-difluorophenyl)-6-(3-ethylphenyl)-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine;(3R,6R)-3-(2,5-difluorophenyl)-6-(3-ethylphenyl)-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine;(3R,6S)-3-(2,5-difluorophenyl)-6-(3-ethylphenyl)-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine?

The IUPAC name of (3R,6S)-3-(2,4-difluorophenyl)-3,6-dimethyl-1,1-dioxo-6-phenyl-2H-1,4-thiazin-5-amine;(3R)-3-(2,5-difluorophenyl)-3,6-dimethyl-6-[(2-methyl-1,3-benzothiazol-5-yl)methyl]-1,1-dioxo-2H-1,4-thiazin-5-amine;(3R,6R)-3-(2,4-difluorophenyl)-3,6-dimethyl-6-[(3-methylphenyl)methyl]-1,1-dioxo-2H-1,4-thiazin-5-amine;(3R,6S)-3-(2,4-difluorophenyl)-6-(3-ethylphenyl)-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine;(3R,6R)-3-(2,5-difluorophenyl)-6-(3-ethylphenyl)-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine;(3R,6S)-3-(2,5-difluorophenyl)-6-(3-ethylphenyl)-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine (CID 159012711) is (3R,6S)-3-(2,4-difluorophenyl)-3,6-dimethyl-1,1-dioxo-6-phenyl-2H-1,4-thiazin-5-amine;(3R)-3-(2,5-difluorophenyl)-3,6-dimethyl-6-[(2-methyl-1,3-benzothiazol-5-yl)methyl]-1,1-dioxo-2H-1,4-thiazin-5-amine;(3R,6R)-3-(2,4-difluorophenyl)-3,6-dimethyl-6-[(3-methylphenyl)methyl]-1,1-dioxo-2H-1,4-thiazin-5-amine;(3R,6S)-3-(2,4-difluorophenyl)-6-(3-ethylphenyl)-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine;(3R,6R)-3-(2,5-difluorophenyl)-6-(3-ethylphenyl)-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine;(3R,6S)-3-(2,5-difluorophenyl)-6-(3-ethylphenyl)-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine.

What is the SMILES notation for (3R,6S)-3-(2,4-difluorophenyl)-3,6-dimethyl-1,1-dioxo-6-phenyl-2H-1,4-thiazin-5-amine;(3R)-3-(2,5-difluorophenyl)-3,6-dimethyl-6-[(2-methyl-1,3-benzothiazol-5-yl)methyl]-1,1-dioxo-2H-1,4-thiazin-5-amine;(3R,6R)-3-(2,4-difluorophenyl)-3,6-dimethyl-6-[(3-methylphenyl)methyl]-1,1-dioxo-2H-1,4-thiazin-5-amine;(3R,6S)-3-(2,4-difluorophenyl)-6-(3-ethylphenyl)-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine;(3R,6R)-3-(2,5-difluorophenyl)-6-(3-ethylphenyl)-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine;(3R,6S)-3-(2,5-difluorophenyl)-6-(3-ethylphenyl)-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine?

The canonical SMILES for (3R,6S)-3-(2,4-difluorophenyl)-3,6-dimethyl-1,1-dioxo-6-phenyl-2H-1,4-thiazin-5-amine;(3R)-3-(2,5-difluorophenyl)-3,6-dimethyl-6-[(2-methyl-1,3-benzothiazol-5-yl)methyl]-1,1-dioxo-2H-1,4-thiazin-5-amine;(3R,6R)-3-(2,4-difluorophenyl)-3,6-dimethyl-6-[(3-methylphenyl)methyl]-1,1-dioxo-2H-1,4-thiazin-5-amine;(3R,6S)-3-(2,4-difluorophenyl)-6-(3-ethylphenyl)-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine;(3R,6R)-3-(2,5-difluorophenyl)-6-(3-ethylphenyl)-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine;(3R,6S)-3-(2,5-difluorophenyl)-6-(3-ethylphenyl)-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine is CCc1cccc([C@@]2(C)C(N)=N[C@](C)(c3cc(F)ccc3F)CS2(=O)=O)c1.CCc1cccc([C@@]2(C)C(N)=N[C@](C)(c3ccc(F)cc3F)CS2(=O)=O)c1.CCc1cccc([C@]2(C)C(N)=N[C@](C)(c3cc(F)ccc3F)CS2(=O)=O)c1.C[C@@]1(c2ccc(F)cc2F)CS(=O)(=O)[C@@](C)(c2ccccc2)C(N)=N1.Cc1cccc(C[C@]2(C)C(N)=N[C@](C)(c3ccc(F)cc3F)CS2(=O)=O)c1.Cc1nc2cc(CC3(C)C(N)=N[C@](C)(c4cc(F)ccc4F)CS3(=O)=O)ccc2s1.

What is the InChIKey of (3R,6S)-3-(2,4-difluorophenyl)-3,6-dimethyl-1,1-dioxo-6-phenyl-2H-1,4-thiazin-5-amine;(3R)-3-(2,5-difluorophenyl)-3,6-dimethyl-6-[(2-methyl-1,3-benzothiazol-5-yl)methyl]-1,1-dioxo-2H-1,4-thiazin-5-amine;(3R,6R)-3-(2,4-difluorophenyl)-3,6-dimethyl-6-[(3-methylphenyl)methyl]-1,1-dioxo-2H-1,4-thiazin-5-amine;(3R,6S)-3-(2,4-difluorophenyl)-6-(3-ethylphenyl)-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine;(3R,6R)-3-(2,5-difluorophenyl)-6-(3-ethylphenyl)-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine;(3R,6S)-3-(2,5-difluorophenyl)-6-(3-ethylphenyl)-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine?

The InChIKey is JSRSBROJYAXPNW-OIMSLHFLSA-N. The full InChI is InChI=1S/C21H21F2N3O2S2.4C20H22F2N2O2S.C18H18F2N2O2S/c1-12-25-17-8-13(4-7-18(17)29-12)10-21(3)19(24)26-20(2,11-30(21,27)28)15-9-14(22)5-6-16(15)23;1-13-5-4-6-14(9-13)11-20(3)18(23)24-19(2,12-27(20,25)26)16-8-7-15(21)10-17(16)22;2*1-4-13-6-5-7-14(10-13)20(3)18(23)24-19(2,12-27(20,25)26)16-11-15(21)8-9-17(16)22;1-4-13-6-5-7-14(10-13)20(3)18(23)24-19(2,12-27(20,25)26)16-9-8-15(21)11-17(16)22;1-17(14-9-8-13(19)10-15(14)20)11-25(23,24)18(2,16(21)22-17)12-6-4-3-5-7-12/h4-9H,10-11H2,1-3H3,(H2,24,26);4-10H,11-12H2,1-3H3,(H2,23,24);3*5-11H,4,12H2,1-3H3,(H2,23,24);3-10H,11H2,1-2H3,(H2,21,22)/t20-,21?;2*19-,20+;2*19-,20-;17-,18-/m000000/s1.

What are the key properties of (3R,6S)-3-(2,4-difluorophenyl)-3,6-dimethyl-1,1-dioxo-6-phenyl-2H-1,4-thiazin-5-amine;(3R)-3-(2,5-difluorophenyl)-3,6-dimethyl-6-[(2-methyl-1,3-benzothiazol-5-yl)methyl]-1,1-dioxo-2H-1,4-thiazin-5-amine;(3R,6R)-3-(2,4-difluorophenyl)-3,6-dimethyl-6-[(3-methylphenyl)methyl]-1,1-dioxo-2H-1,4-thiazin-5-amine;(3R,6S)-3-(2,4-difluorophenyl)-6-(3-ethylphenyl)-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine;(3R,6R)-3-(2,5-difluorophenyl)-6-(3-ethylphenyl)-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine;(3R,6S)-3-(2,5-difluorophenyl)-6-(3-ethylphenyl)-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine?

(3R,6S)-3-(2,4-difluorophenyl)-3,6-dimethyl-1,1-dioxo-6-phenyl-2H-1,4-thiazin-5-amine;(3R)-3-(2,5-difluorophenyl)-3,6-dimethyl-6-[(2-methyl-1,3-benzothiazol-5-yl)methyl]-1,1-dioxo-2H-1,4-thiazin-5-amine;(3R,6R)-3-(2,4-difluorophenyl)-3,6-dimethyl-6-[(3-methylphenyl)methyl]-1,1-dioxo-2H-1,4-thiazin-5-amine;(3R,6S)-3-(2,4-difluorophenyl)-6-(3-ethylphenyl)-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine;(3R,6R)-3-(2,5-difluorophenyl)-6-(3-ethylphenyl)-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine;(3R,6S)-3-(2,5-difluorophenyl)-6-(3-ethylphenyl)-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine has a molecular weight of 2383.85 g/mol, XLogP of 20.37, 17 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,6S)-3-(2,4-difluorophenyl)-3,6-dimethyl-1,1-dioxo-6-phenyl-2H-1,4-thiazin-5-amine;(3R)-3-(2,5-difluorophenyl)-3,6-dimethyl-6-[(2-methyl-1,3-benzothiazol-5-yl)methyl]-1,1-dioxo-2H-1,4-thiazin-5-amine;(3R,6R)-3-(2,4-difluorophenyl)-3,6-dimethyl-6-[(3-methylphenyl)methyl]-1,1-dioxo-2H-1,4-thiazin-5-amine;(3R,6S)-3-(2,4-difluorophenyl)-6-(3-ethylphenyl)-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine;(3R,6R)-3-(2,5-difluorophenyl)-6-(3-ethylphenyl)-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine;(3R,6S)-3-(2,5-difluorophenyl)-6-(3-ethylphenyl)-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine is sourced from PubChem (CID 159012711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).