(2R)-2-amino-3-[[7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid;butyl (2R)-2-(phenylmethoxycarbonylamino)-3-[[7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate;7-chlorothieno[3,2-b]pyridine;7-iodothieno[3,2-b]pyridine;7-(trifluoromethyl)thieno[3,2-b]pyridine;7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid

C67H50ClF12IN10O10S6 — CID 165022520

About (2R)-2-amino-3-[[7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid;butyl (2R)-2-(phenylmethoxycarbonylamino)-3-[[7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate;7-chlorothieno[3,2-b]pyridine;7-iodothieno[3,2-b]pyridine;7-(trifluoromethyl)thieno[3,2-b]pyridine;7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid

(2R)-2-amino-3-[[7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid;butyl (2R)-2-(phenylmethoxycarbonylamino)-3-[[7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate;7-chlorothieno[3,2-b]pyridine;7-iodothieno[3,2-b]pyridine;7-(trifluoromethyl)thieno[3,2-b]pyridine;7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid (PubChem CID 165022520) has the molecular formula C67H50ClF12IN10O10S6 and a molecular weight of 1737.93 g/mol. Its IUPAC name is (2R)-2-amino-3-[[7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid;butyl (2R)-2-(phenylmethoxycarbonylamino)-3-[[7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate;7-chlorothieno[3,2-b]pyridine;7-iodothieno[3,2-b]pyridine;7-(trifluoromethyl)thieno[3,2-b]pyridine;7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: (2R)-2-amino-3-[[7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid;butyl (2R)-2-(phenylmethoxycarbonylamino)-3-[[7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate;7-chlorothieno[3,2-b]pyridine;7-iodothieno[3,2-b]pyridine;7-(trifluoromethyl)thieno[3,2-b]pyridine;7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid
• PubChem CID: 165022520
• Molecular Formula: C67H50ClF12IN10O10S6
• Molecular Weight: 1737.93 g/mol
• Exact Mass: 1736.06
• IUPAC Name: (2R)-2-amino-3-[[7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid;butyl (2R)-2-(phenylmethoxycarbonylamino)-3-[[7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate;7-chlorothieno[3,2-b]pyridine;7-iodothieno[3,2-b]pyridine;7-(trifluoromethyl)thieno[3,2-b]pyridine;7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid
• SMILES: CCCCOC(=O)[C@@H](CNC(=O)c1cc2nccc(C(F)(F)F)c2s1)NC(=O)OCc1ccccc1.Clc1ccnc2ccsc12.FC(F)(F)c1ccnc2ccsc12.Ic1ccnc2ccsc12.N[C@H](CNC(=O)c1cc2nccc(C(F)(F)F)c2s1)C(=O)O.O=C(O)c1cc2nccc(C(F)(F)F)c2s1
• InChI: InChI=1S/C24H24F3N3O5S.C12H10F3N3O3S.C9H4F3NO2S.C8H4F3NS.C7H4ClNS.C7H4INS/c1-2-3-11-34-22(32)18(30-23(33)35-14-15-7-5-4-6-8-15)13-29-21(31)19-12-17-20(36-19)16(9-10-28-17)24(25,26)27;13-12(14,15)5-1-2-17-7-3-8(22-9(5)7)10(19)18-4-6(16)11(20)21;10-9(11,12)4-1-2-13-5-3-6(8(14)15)16-7(4)5;9-8(10,11)5-1-3-12-6-2-4-13-7(5)6;2*8-5-1-3-9-6-2-4-10-7(5)6/h4-10,12,18H,2-3,11,13-14H2,1H3,(H,29,31)(H,30,33);1-3,6H,4,16H2,(H,18,19)(H,20,21);1-3H,(H,14,15);1-4H;2*1-4H/t18-;6-;;;;/m11..../s1
• InChIKey: LJOUUGBRAIGIQL-XHGHSQHYSA-N
• XLogP: 18.32
• TPSA: 300.79 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 15
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1737.93
LogP ≤ 5	18.32
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[[7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid;butyl (2R)-2-(phenylmethoxycarbonylamino)-3-[[7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate;7-chlorothieno[3,2-b]pyridine;7-iodothieno[3,2-b]pyridine;7-(trifluoromethyl)thieno[3,2-b]pyridine;7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid?

The IUPAC name of (2R)-2-amino-3-[[7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid;butyl (2R)-2-(phenylmethoxycarbonylamino)-3-[[7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate;7-chlorothieno[3,2-b]pyridine;7-iodothieno[3,2-b]pyridine;7-(trifluoromethyl)thieno[3,2-b]pyridine;7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid (CID 165022520) is (2R)-2-amino-3-[[7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid;butyl (2R)-2-(phenylmethoxycarbonylamino)-3-[[7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate;7-chlorothieno[3,2-b]pyridine;7-iodothieno[3,2-b]pyridine;7-(trifluoromethyl)thieno[3,2-b]pyridine;7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid.

What is the SMILES notation for (2R)-2-amino-3-[[7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid;butyl (2R)-2-(phenylmethoxycarbonylamino)-3-[[7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate;7-chlorothieno[3,2-b]pyridine;7-iodothieno[3,2-b]pyridine;7-(trifluoromethyl)thieno[3,2-b]pyridine;7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid?

The canonical SMILES for (2R)-2-amino-3-[[7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid;butyl (2R)-2-(phenylmethoxycarbonylamino)-3-[[7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate;7-chlorothieno[3,2-b]pyridine;7-iodothieno[3,2-b]pyridine;7-(trifluoromethyl)thieno[3,2-b]pyridine;7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid is CCCCOC(=O)[C@@H](CNC(=O)c1cc2nccc(C(F)(F)F)c2s1)NC(=O)OCc1ccccc1.Clc1ccnc2ccsc12.FC(F)(F)c1ccnc2ccsc12.Ic1ccnc2ccsc12.N[C@H](CNC(=O)c1cc2nccc(C(F)(F)F)c2s1)C(=O)O.O=C(O)c1cc2nccc(C(F)(F)F)c2s1.

What is the InChIKey of (2R)-2-amino-3-[[7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid;butyl (2R)-2-(phenylmethoxycarbonylamino)-3-[[7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate;7-chlorothieno[3,2-b]pyridine;7-iodothieno[3,2-b]pyridine;7-(trifluoromethyl)thieno[3,2-b]pyridine;7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid?

The InChIKey is LJOUUGBRAIGIQL-XHGHSQHYSA-N. The full InChI is InChI=1S/C24H24F3N3O5S.C12H10F3N3O3S.C9H4F3NO2S.C8H4F3NS.C7H4ClNS.C7H4INS/c1-2-3-11-34-22(32)18(30-23(33)35-14-15-7-5-4-6-8-15)13-29-21(31)19-12-17-20(36-19)16(9-10-28-17)24(25,26)27;13-12(14,15)5-1-2-17-7-3-8(22-9(5)7)10(19)18-4-6(16)11(20)21;10-9(11,12)4-1-2-13-5-3-6(8(14)15)16-7(4)5;9-8(10,11)5-1-3-12-6-2-4-13-7(5)6;2*8-5-1-3-9-6-2-4-10-7(5)6/h4-10,12,18H,2-3,11,13-14H2,1H3,(H,29,31)(H,30,33);1-3,6H,4,16H2,(H,18,19)(H,20,21);1-3H,(H,14,15);1-4H;2*1-4H/t18-;6-;;;;/m11..../s1.

What are the key properties of (2R)-2-amino-3-[[7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid;butyl (2R)-2-(phenylmethoxycarbonylamino)-3-[[7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate;7-chlorothieno[3,2-b]pyridine;7-iodothieno[3,2-b]pyridine;7-(trifluoromethyl)thieno[3,2-b]pyridine;7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid?

(2R)-2-amino-3-[[7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid;butyl (2R)-2-(phenylmethoxycarbonylamino)-3-[[7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate;7-chlorothieno[3,2-b]pyridine;7-iodothieno[3,2-b]pyridine;7-(trifluoromethyl)thieno[3,2-b]pyridine;7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid has a molecular weight of 1737.93 g/mol, XLogP of 18.32, 15 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-amino-3-[[7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid;butyl (2R)-2-(phenylmethoxycarbonylamino)-3-[[7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate;7-chlorothieno[3,2-b]pyridine;7-iodothieno[3,2-b]pyridine;7-(trifluoromethyl)thieno[3,2-b]pyridine;7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 165022520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).