tert-butyl N-thieno[2,3-b]pyrazin-6-ylcarbamate;3-(2-cyanopropan-2-yl)benzoic acid;5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylbenzoic acid;5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methyl-N-thieno[2,3-b]pyrazin-6-ylbenzamide;ethyl 5-amino-2-methylbenzoate;ethyl 5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylbenzoate;ethyl 2-methyl-5-nitrobenzoate;2-methyl-5-nitrobenzoic acid;thieno[2,3-b]pyrazin-6-amine;thieno[2,3-b]pyrazine-6-carboxylic acid

C128H125N21O24S4 — CID 157058808

About tert-butyl N-thieno[2,3-b]pyrazin-6-ylcarbamate;3-(2-cyanopropan-2-yl)benzoic acid;5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylbenzoic acid;5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methyl-N-thieno[2,3-b]pyrazin-6-ylbenzamide;ethyl 5-amino-2-methylbenzoate;ethyl 5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylbenzoate;ethyl 2-methyl-5-nitrobenzoate;2-methyl-5-nitrobenzoic acid;thieno[2,3-b]pyrazin-6-amine;thieno[2,3-b]pyrazine-6-carboxylic acid

tert-butyl N-thieno[2,3-b]pyrazin-6-ylcarbamate;3-(2-cyanopropan-2-yl)benzoic acid;5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylbenzoic acid;5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methyl-N-thieno[2,3-b]pyrazin-6-ylbenzamide;ethyl 5-amino-2-methylbenzoate;ethyl 5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylbenzoate;ethyl 2-methyl-5-nitrobenzoate;2-methyl-5-nitrobenzoic acid;thieno[2,3-b]pyrazin-6-amine;thieno[2,3-b]pyrazine-6-carboxylic acid (PubChem CID 157058808) has the molecular formula C128H125N21O24S4 and a molecular weight of 2469.80 g/mol. Its IUPAC name is tert-butyl N-thieno[2,3-b]pyrazin-6-ylcarbamate;3-(2-cyanopropan-2-yl)benzoic acid;5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylbenzoic acid;5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methyl-N-thieno[2,3-b]pyrazin-6-ylbenzamide;ethyl 5-amino-2-methylbenzoate;ethyl 5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylbenzoate;ethyl 2-methyl-5-nitrobenzoate;2-methyl-5-nitrobenzoic acid;thieno[2,3-b]pyrazin-6-amine;thieno[2,3-b]pyrazine-6-carboxylic acid.

Molecular Properties

• Compound Name: tert-butyl N-thieno[2,3-b]pyrazin-6-ylcarbamate;3-(2-cyanopropan-2-yl)benzoic acid;5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylbenzoic acid;5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methyl-N-thieno[2,3-b]pyrazin-6-ylbenzamide;ethyl 5-amino-2-methylbenzoate;ethyl 5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylbenzoate;ethyl 2-methyl-5-nitrobenzoate;2-methyl-5-nitrobenzoic acid;thieno[2,3-b]pyrazin-6-amine;thieno[2,3-b]pyrazine-6-carboxylic acid
• PubChem CID: 157058808
• Molecular Formula: C128H125N21O24S4
• Molecular Weight: 2469.80 g/mol
• Exact Mass: 2467.81
• IUPAC Name: tert-butyl N-thieno[2,3-b]pyrazin-6-ylcarbamate;3-(2-cyanopropan-2-yl)benzoic acid;5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylbenzoic acid;5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methyl-N-thieno[2,3-b]pyrazin-6-ylbenzamide;ethyl 5-amino-2-methylbenzoate;ethyl 5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylbenzoate;ethyl 2-methyl-5-nitrobenzoate;2-methyl-5-nitrobenzoic acid;thieno[2,3-b]pyrazin-6-amine;thieno[2,3-b]pyrazine-6-carboxylic acid
• SMILES: CC(C)(C#N)c1cccc(C(=O)O)c1.CC(C)(C)OC(=O)Nc1cc2nccnc2s1.CCOC(=O)c1cc(N)ccc1C.CCOC(=O)c1cc(NC(=O)c2cccc(C(C)(C)C#N)c2)ccc1C.CCOC(=O)c1cc([N+](=O)[O-])ccc1C.Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1C(=O)Nc1cc2nccnc2s1.Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1C(=O)O.Cc1ccc([N+](=O)[O-])cc1C(=O)O.Nc1cc2nccnc2s1.O=C(O)c1cc2nccnc2s1
• InChI: InChI=1S/C25H21N5O2S.C21H22N2O3.C19H18N2O3.C11H13N3O2S.C11H11NO2.C10H11NO4.C10H13NO2.C8H7NO4.C7H4N2O2S.C6H5N3S/c1-15-7-8-18(29-22(31)16-5-4-6-17(11-16)25(2,3)14-26)12-19(15)23(32)30-21-13-20-24(33-21)28-10-9-27-20;1-5-26-20(25)18-12-17(10-9-14(18)2)23-19(24)15-7-6-8-16(11-15)21(3,4)13-22;1-12-7-8-15(10-16(12)18(23)24)21-17(22)13-5-4-6-14(9-13)19(2,3)11-20;1-11(2,3)16-10(15)14-8-6-7-9(17-8)13-5-4-12-7;1-11(2,7-12)9-5-3-4-8(6-9)10(13)14;1-3-15-10(12)9-6-8(11(13)14)5-4-7(9)2;1-3-13-10(12)9-6-8(11)5-4-7(9)2;1-5-2-3-6(9(12)13)4-7(5)8(10)11;10-7(11)5-3-4-6(12-5)9-2-1-8-4;7-5-3-4-6(10-5)9-2-1-8-4/h4-13H,1-3H3,(H,29,31)(H,30,32);6-12H,5H2,1-4H3,(H,23,24);4-10H,1-3H3,(H,21,22)(H,23,24);4-6H,1-3H3,(H,14,15);3-6H,1-2H3,(H,13,14);4-6H,3H2,1-2H3;4-6H,3,11H2,1-2H3;2-4H,1H3,(H,10,11);1-3H,(H,10,11);1-3H,7H2
• InChIKey: ABBPWULBDIELIB-UHFFFAOYSA-N
• XLogP: 26.60
• TPSA: 719.43 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 38
• Rotatable Bonds: 25
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2469.80
LogP ≤ 5	26.60
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-thieno[2,3-b]pyrazin-6-ylcarbamate;3-(2-cyanopropan-2-yl)benzoic acid;5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylbenzoic acid;5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methyl-N-thieno[2,3-b]pyrazin-6-ylbenzamide;ethyl 5-amino-2-methylbenzoate;ethyl 5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylbenzoate;ethyl 2-methyl-5-nitrobenzoate;2-methyl-5-nitrobenzoic acid;thieno[2,3-b]pyrazin-6-amine;thieno[2,3-b]pyrazine-6-carboxylic acid?

The IUPAC name of tert-butyl N-thieno[2,3-b]pyrazin-6-ylcarbamate;3-(2-cyanopropan-2-yl)benzoic acid;5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylbenzoic acid;5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methyl-N-thieno[2,3-b]pyrazin-6-ylbenzamide;ethyl 5-amino-2-methylbenzoate;ethyl 5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylbenzoate;ethyl 2-methyl-5-nitrobenzoate;2-methyl-5-nitrobenzoic acid;thieno[2,3-b]pyrazin-6-amine;thieno[2,3-b]pyrazine-6-carboxylic acid (CID 157058808) is tert-butyl N-thieno[2,3-b]pyrazin-6-ylcarbamate;3-(2-cyanopropan-2-yl)benzoic acid;5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylbenzoic acid;5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methyl-N-thieno[2,3-b]pyrazin-6-ylbenzamide;ethyl 5-amino-2-methylbenzoate;ethyl 5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylbenzoate;ethyl 2-methyl-5-nitrobenzoate;2-methyl-5-nitrobenzoic acid;thieno[2,3-b]pyrazin-6-amine;thieno[2,3-b]pyrazine-6-carboxylic acid.

What is the SMILES notation for tert-butyl N-thieno[2,3-b]pyrazin-6-ylcarbamate;3-(2-cyanopropan-2-yl)benzoic acid;5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylbenzoic acid;5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methyl-N-thieno[2,3-b]pyrazin-6-ylbenzamide;ethyl 5-amino-2-methylbenzoate;ethyl 5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylbenzoate;ethyl 2-methyl-5-nitrobenzoate;2-methyl-5-nitrobenzoic acid;thieno[2,3-b]pyrazin-6-amine;thieno[2,3-b]pyrazine-6-carboxylic acid?

The canonical SMILES for tert-butyl N-thieno[2,3-b]pyrazin-6-ylcarbamate;3-(2-cyanopropan-2-yl)benzoic acid;5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylbenzoic acid;5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methyl-N-thieno[2,3-b]pyrazin-6-ylbenzamide;ethyl 5-amino-2-methylbenzoate;ethyl 5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylbenzoate;ethyl 2-methyl-5-nitrobenzoate;2-methyl-5-nitrobenzoic acid;thieno[2,3-b]pyrazin-6-amine;thieno[2,3-b]pyrazine-6-carboxylic acid is CC(C)(C#N)c1cccc(C(=O)O)c1.CC(C)(C)OC(=O)Nc1cc2nccnc2s1.CCOC(=O)c1cc(N)ccc1C.CCOC(=O)c1cc(NC(=O)c2cccc(C(C)(C)C#N)c2)ccc1C.CCOC(=O)c1cc([N+](=O)[O-])ccc1C.Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1C(=O)Nc1cc2nccnc2s1.Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1C(=O)O.Cc1ccc([N+](=O)[O-])cc1C(=O)O.Nc1cc2nccnc2s1.O=C(O)c1cc2nccnc2s1.

What is the InChIKey of tert-butyl N-thieno[2,3-b]pyrazin-6-ylcarbamate;3-(2-cyanopropan-2-yl)benzoic acid;5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylbenzoic acid;5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methyl-N-thieno[2,3-b]pyrazin-6-ylbenzamide;ethyl 5-amino-2-methylbenzoate;ethyl 5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylbenzoate;ethyl 2-methyl-5-nitrobenzoate;2-methyl-5-nitrobenzoic acid;thieno[2,3-b]pyrazin-6-amine;thieno[2,3-b]pyrazine-6-carboxylic acid?

The InChIKey is ABBPWULBDIELIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O2S.C21H22N2O3.C19H18N2O3.C11H13N3O2S.C11H11NO2.C10H11NO4.C10H13NO2.C8H7NO4.C7H4N2O2S.C6H5N3S/c1-15-7-8-18(29-22(31)16-5-4-6-17(11-16)25(2,3)14-26)12-19(15)23(32)30-21-13-20-24(33-21)28-10-9-27-20;1-5-26-20(25)18-12-17(10-9-14(18)2)23-19(24)15-7-6-8-16(11-15)21(3,4)13-22;1-12-7-8-15(10-16(12)18(23)24)21-17(22)13-5-4-6-14(9-13)19(2,3)11-20;1-11(2,3)16-10(15)14-8-6-7-9(17-8)13-5-4-12-7;1-11(2,7-12)9-5-3-4-8(6-9)10(13)14;1-3-15-10(12)9-6-8(11(13)14)5-4-7(9)2;1-3-13-10(12)9-6-8(11)5-4-7(9)2;1-5-2-3-6(9(12)13)4-7(5)8(10)11;10-7(11)5-3-4-6(12-5)9-2-1-8-4;7-5-3-4-6(10-5)9-2-1-8-4/h4-13H,1-3H3,(H,29,31)(H,30,32);6-12H,5H2,1-4H3,(H,23,24);4-10H,1-3H3,(H,21,22)(H,23,24);4-6H,1-3H3,(H,14,15);3-6H,1-2H3,(H,13,14);4-6H,3H2,1-2H3;4-6H,3,11H2,1-2H3;2-4H,1H3,(H,10,11);1-3H,(H,10,11);1-3H,7H2.

What are the key properties of tert-butyl N-thieno[2,3-b]pyrazin-6-ylcarbamate;3-(2-cyanopropan-2-yl)benzoic acid;5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylbenzoic acid;5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methyl-N-thieno[2,3-b]pyrazin-6-ylbenzamide;ethyl 5-amino-2-methylbenzoate;ethyl 5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylbenzoate;ethyl 2-methyl-5-nitrobenzoate;2-methyl-5-nitrobenzoic acid;thieno[2,3-b]pyrazin-6-amine;thieno[2,3-b]pyrazine-6-carboxylic acid?

tert-butyl N-thieno[2,3-b]pyrazin-6-ylcarbamate;3-(2-cyanopropan-2-yl)benzoic acid;5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylbenzoic acid;5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methyl-N-thieno[2,3-b]pyrazin-6-ylbenzamide;ethyl 5-amino-2-methylbenzoate;ethyl 5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylbenzoate;ethyl 2-methyl-5-nitrobenzoate;2-methyl-5-nitrobenzoic acid;thieno[2,3-b]pyrazin-6-amine;thieno[2,3-b]pyrazine-6-carboxylic acid has a molecular weight of 2469.80 g/mol, XLogP of 26.60, 25 rotatable bonds, 11 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-thieno[2,3-b]pyrazin-6-ylcarbamate;3-(2-cyanopropan-2-yl)benzoic acid;5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylbenzoic acid;5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methyl-N-thieno[2,3-b]pyrazin-6-ylbenzamide;ethyl 5-amino-2-methylbenzoate;ethyl 5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylbenzoate;ethyl 2-methyl-5-nitrobenzoate;2-methyl-5-nitrobenzoic acid;thieno[2,3-b]pyrazin-6-amine;thieno[2,3-b]pyrazine-6-carboxylic acid is sourced from PubChem (CID 157058808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).