(4R)-2-acetyl-4-methyl-N-[(1R)-4,4,4-trifluoro-1-(4-methoxy-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide;6-[(1R)-1-amino-4,4,4-trifluorobutyl]-4-methoxypyran-2-one;(4R)-2-(1,1-diethoxyethyl)-4-methyl-5H-1,3-thiazole-4-carboxylic acid;bis((4R)-2-(1,1-diethoxyethyl)-4-methyl-N-[(1R)-4,4,4-trifluoro-1-(4-methoxy-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide);(4R)-2-(1,1-diethoxyethyl)-4-methyl-N-[(1S)-4,4,4-trifluoro-1-(4-methoxy-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetate

C103H137F18N10O32S5- — CID 163963159

About (4R)-2-acetyl-4-methyl-N-[(1R)-4,4,4-trifluoro-1-(4-methoxy-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide;6-[(1R)-1-amino-4,4,4-trifluorobutyl]-4-methoxypyran-2-one;(4R)-2-(1,1-diethoxyethyl)-4-methyl-5H-1,3-thiazole-4-carboxylic acid;bis((4R)-2-(1,1-diethoxyethyl)-4-methyl-N-[(1R)-4,4,4-trifluoro-1-(4-methoxy-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide);(4R)-2-(1,1-diethoxyethyl)-4-methyl-N-[(1S)-4,4,4-trifluoro-1-(4-methoxy-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetate

(4R)-2-acetyl-4-methyl-N-[(1R)-4,4,4-trifluoro-1-(4-methoxy-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide;6-[(1R)-1-amino-4,4,4-trifluorobutyl]-4-methoxypyran-2-one;(4R)-2-(1,1-diethoxyethyl)-4-methyl-5H-1,3-thiazole-4-carboxylic acid;bis((4R)-2-(1,1-diethoxyethyl)-4-methyl-N-[(1R)-4,4,4-trifluoro-1-(4-methoxy-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide);(4R)-2-(1,1-diethoxyethyl)-4-methyl-N-[(1S)-4,4,4-trifluoro-1-(4-methoxy-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetate (PubChem CID 163963159) has the molecular formula C103H137F18N10O32S5- and a molecular weight of 2529.57 g/mol. Its IUPAC name is (4R)-2-acetyl-4-methyl-N-[(1R)-4,4,4-trifluoro-1-(4-methoxy-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide;6-[(1R)-1-amino-4,4,4-trifluorobutyl]-4-methoxypyran-2-one;(4R)-2-(1,1-diethoxyethyl)-4-methyl-5H-1,3-thiazole-4-carboxylic acid;bis((4R)-2-(1,1-diethoxyethyl)-4-methyl-N-[(1R)-4,4,4-trifluoro-1-(4-methoxy-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide);(4R)-2-(1,1-diethoxyethyl)-4-methyl-N-[(1S)-4,4,4-trifluoro-1-(4-methoxy-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetate.

Molecular Properties

• Compound Name: (4R)-2-acetyl-4-methyl-N-[(1R)-4,4,4-trifluoro-1-(4-methoxy-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide;6-[(1R)-1-amino-4,4,4-trifluorobutyl]-4-methoxypyran-2-one;(4R)-2-(1,1-diethoxyethyl)-4-methyl-5H-1,3-thiazole-4-carboxylic acid;bis((4R)-2-(1,1-diethoxyethyl)-4-methyl-N-[(1R)-4,4,4-trifluoro-1-(4-methoxy-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide);(4R)-2-(1,1-diethoxyethyl)-4-methyl-N-[(1S)-4,4,4-trifluoro-1-(4-methoxy-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetate
• PubChem CID: 163963159
• Molecular Formula: C103H137F18N10O32S5-
• Molecular Weight: 2529.57 g/mol
• Exact Mass: 2527.77
• IUPAC Name: (4R)-2-acetyl-4-methyl-N-[(1R)-4,4,4-trifluoro-1-(4-methoxy-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide;6-[(1R)-1-amino-4,4,4-trifluorobutyl]-4-methoxypyran-2-one;(4R)-2-(1,1-diethoxyethyl)-4-methyl-5H-1,3-thiazole-4-carboxylic acid;bis((4R)-2-(1,1-diethoxyethyl)-4-methyl-N-[(1R)-4,4,4-trifluoro-1-(4-methoxy-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide);(4R)-2-(1,1-diethoxyethyl)-4-methyl-N-[(1S)-4,4,4-trifluoro-1-(4-methoxy-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetate
• SMILES: CCOC(C)(OCC)C1=N[C@](C)(C(=O)N[C@@H](CCC(F)(F)F)c2cc(OC)cc(=O)o2)CS1.CCOC(C)(OCC)C1=N[C@](C)(C(=O)N[C@H](CCC(F)(F)F)c2cc(OC)cc(=O)o2)CS1.CCOC(C)(OCC)C1=N[C@](C)(C(=O)N[C@H](CCC(F)(F)F)c2cc(OC)cc(=O)o2)CS1.CCOC(C)(OCC)C1=N[C@](C)(C(=O)O)CS1.COc1cc([C@@H](CCC(F)(F)F)NC(=O)[C@]2(C)CSC(C(C)=O)=N2)oc(=O)c1.COc1cc([C@H](N)CCC(F)(F)F)oc(=O)c1.O=C([O-])C(F)(F)F
• InChI: InChI=1S/3C21H29F3N2O6S.C17H19F3N2O5S.C11H19NO4S.C10H12F3NO3.C2HF3O2/c3*1-6-30-20(4,31-7-2)18-26-19(3,12-33-18)17(28)25-14(8-9-21(22,23)24)15-10-13(29-5)11-16(27)32-15;1-9(23)14-22-16(2,8-28-14)15(25)21-11(4-5-17(18,19)20)12-6-10(26-3)7-13(24)27-12;1-5-15-11(4,16-6-2)8-12-10(3,7-17-8)9(13)14;1-16-6-4-8(17-9(15)5-6)7(14)2-3-10(11,12)13;3-2(4,5)1(6)7/h3*10-11,14H,6-9,12H2,1-5H3,(H,25,28);6-7,11H,4-5,8H2,1-3H3,(H,21,25);5-7H2,1-4H3,(H,13,14);4-5,7H,2-3,14H2,1H3;(H,6,7)/p-1/t2*14-,19+;14-,19-;11-,16+;10-;7-;/m110101./s1
• InChIKey: QMPASXPJHLZBSK-MNTZQGNNSA-M
• XLogP: 17.22
• TPSA: 569.76 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 42
• Rotatable Bonds: 50
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2529.57
LogP ≤ 5	17.22
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4R)-2-acetyl-4-methyl-N-[(1R)-4,4,4-trifluoro-1-(4-methoxy-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide;6-[(1R)-1-amino-4,4,4-trifluorobutyl]-4-methoxypyran-2-one;(4R)-2-(1,1-diethoxyethyl)-4-methyl-5H-1,3-thiazole-4-carboxylic acid;bis((4R)-2-(1,1-diethoxyethyl)-4-methyl-N-[(1R)-4,4,4-trifluoro-1-(4-methoxy-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide);(4R)-2-(1,1-diethoxyethyl)-4-methyl-N-[(1S)-4,4,4-trifluoro-1-(4-methoxy-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetate?

The IUPAC name of (4R)-2-acetyl-4-methyl-N-[(1R)-4,4,4-trifluoro-1-(4-methoxy-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide;6-[(1R)-1-amino-4,4,4-trifluorobutyl]-4-methoxypyran-2-one;(4R)-2-(1,1-diethoxyethyl)-4-methyl-5H-1,3-thiazole-4-carboxylic acid;bis((4R)-2-(1,1-diethoxyethyl)-4-methyl-N-[(1R)-4,4,4-trifluoro-1-(4-methoxy-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide);(4R)-2-(1,1-diethoxyethyl)-4-methyl-N-[(1S)-4,4,4-trifluoro-1-(4-methoxy-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetate (CID 163963159) is (4R)-2-acetyl-4-methyl-N-[(1R)-4,4,4-trifluoro-1-(4-methoxy-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide;6-[(1R)-1-amino-4,4,4-trifluorobutyl]-4-methoxypyran-2-one;(4R)-2-(1,1-diethoxyethyl)-4-methyl-5H-1,3-thiazole-4-carboxylic acid;bis((4R)-2-(1,1-diethoxyethyl)-4-methyl-N-[(1R)-4,4,4-trifluoro-1-(4-methoxy-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide);(4R)-2-(1,1-diethoxyethyl)-4-methyl-N-[(1S)-4,4,4-trifluoro-1-(4-methoxy-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetate.

What is the SMILES notation for (4R)-2-acetyl-4-methyl-N-[(1R)-4,4,4-trifluoro-1-(4-methoxy-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide;6-[(1R)-1-amino-4,4,4-trifluorobutyl]-4-methoxypyran-2-one;(4R)-2-(1,1-diethoxyethyl)-4-methyl-5H-1,3-thiazole-4-carboxylic acid;bis((4R)-2-(1,1-diethoxyethyl)-4-methyl-N-[(1R)-4,4,4-trifluoro-1-(4-methoxy-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide);(4R)-2-(1,1-diethoxyethyl)-4-methyl-N-[(1S)-4,4,4-trifluoro-1-(4-methoxy-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetate?

The canonical SMILES for (4R)-2-acetyl-4-methyl-N-[(1R)-4,4,4-trifluoro-1-(4-methoxy-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide;6-[(1R)-1-amino-4,4,4-trifluorobutyl]-4-methoxypyran-2-one;(4R)-2-(1,1-diethoxyethyl)-4-methyl-5H-1,3-thiazole-4-carboxylic acid;bis((4R)-2-(1,1-diethoxyethyl)-4-methyl-N-[(1R)-4,4,4-trifluoro-1-(4-methoxy-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide);(4R)-2-(1,1-diethoxyethyl)-4-methyl-N-[(1S)-4,4,4-trifluoro-1-(4-methoxy-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetate is CCOC(C)(OCC)C1=N[C@](C)(C(=O)N[C@@H](CCC(F)(F)F)c2cc(OC)cc(=O)o2)CS1.CCOC(C)(OCC)C1=N[C@](C)(C(=O)N[C@H](CCC(F)(F)F)c2cc(OC)cc(=O)o2)CS1.CCOC(C)(OCC)C1=N[C@](C)(C(=O)N[C@H](CCC(F)(F)F)c2cc(OC)cc(=O)o2)CS1.CCOC(C)(OCC)C1=N[C@](C)(C(=O)O)CS1.COc1cc([C@@H](CCC(F)(F)F)NC(=O)[C@]2(C)CSC(C(C)=O)=N2)oc(=O)c1.COc1cc([C@H](N)CCC(F)(F)F)oc(=O)c1.O=C([O-])C(F)(F)F.

What is the InChIKey of (4R)-2-acetyl-4-methyl-N-[(1R)-4,4,4-trifluoro-1-(4-methoxy-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide;6-[(1R)-1-amino-4,4,4-trifluorobutyl]-4-methoxypyran-2-one;(4R)-2-(1,1-diethoxyethyl)-4-methyl-5H-1,3-thiazole-4-carboxylic acid;bis((4R)-2-(1,1-diethoxyethyl)-4-methyl-N-[(1R)-4,4,4-trifluoro-1-(4-methoxy-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide);(4R)-2-(1,1-diethoxyethyl)-4-methyl-N-[(1S)-4,4,4-trifluoro-1-(4-methoxy-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetate?

The InChIKey is QMPASXPJHLZBSK-MNTZQGNNSA-M. The full InChI is InChI=1S/3C21H29F3N2O6S.C17H19F3N2O5S.C11H19NO4S.C10H12F3NO3.C2HF3O2/c3*1-6-30-20(4,31-7-2)18-26-19(3,12-33-18)17(28)25-14(8-9-21(22,23)24)15-10-13(29-5)11-16(27)32-15;1-9(23)14-22-16(2,8-28-14)15(25)21-11(4-5-17(18,19)20)12-6-10(26-3)7-13(24)27-12;1-5-15-11(4,16-6-2)8-12-10(3,7-17-8)9(13)14;1-16-6-4-8(17-9(15)5-6)7(14)2-3-10(11,12)13;3-2(4,5)1(6)7/h3*10-11,14H,6-9,12H2,1-5H3,(H,25,28);6-7,11H,4-5,8H2,1-3H3,(H,21,25);5-7H2,1-4H3,(H,13,14);4-5,7H,2-3,14H2,1H3;(H,6,7)/p-1/t2*14-,19+;14-,19-;11-,16+;10-;7-;/m110101./s1.

What are the key properties of (4R)-2-acetyl-4-methyl-N-[(1R)-4,4,4-trifluoro-1-(4-methoxy-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide;6-[(1R)-1-amino-4,4,4-trifluorobutyl]-4-methoxypyran-2-one;(4R)-2-(1,1-diethoxyethyl)-4-methyl-5H-1,3-thiazole-4-carboxylic acid;bis((4R)-2-(1,1-diethoxyethyl)-4-methyl-N-[(1R)-4,4,4-trifluoro-1-(4-methoxy-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide);(4R)-2-(1,1-diethoxyethyl)-4-methyl-N-[(1S)-4,4,4-trifluoro-1-(4-methoxy-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetate?

(4R)-2-acetyl-4-methyl-N-[(1R)-4,4,4-trifluoro-1-(4-methoxy-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide;6-[(1R)-1-amino-4,4,4-trifluorobutyl]-4-methoxypyran-2-one;(4R)-2-(1,1-diethoxyethyl)-4-methyl-5H-1,3-thiazole-4-carboxylic acid;bis((4R)-2-(1,1-diethoxyethyl)-4-methyl-N-[(1R)-4,4,4-trifluoro-1-(4-methoxy-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide);(4R)-2-(1,1-diethoxyethyl)-4-methyl-N-[(1S)-4,4,4-trifluoro-1-(4-methoxy-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetate has a molecular weight of 2529.57 g/mol, XLogP of 17.22, 50 rotatable bonds, 6 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-2-acetyl-4-methyl-N-[(1R)-4,4,4-trifluoro-1-(4-methoxy-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide;6-[(1R)-1-amino-4,4,4-trifluorobutyl]-4-methoxypyran-2-one;(4R)-2-(1,1-diethoxyethyl)-4-methyl-5H-1,3-thiazole-4-carboxylic acid;bis((4R)-2-(1,1-diethoxyethyl)-4-methyl-N-[(1R)-4,4,4-trifluoro-1-(4-methoxy-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide);(4R)-2-(1,1-diethoxyethyl)-4-methyl-N-[(1S)-4,4,4-trifluoro-1-(4-methoxy-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetate is sourced from PubChem (CID 163963159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).