5-[[4-(2-aminoethylcarbamoyl)-1,3-thiazol-2-yl]carbamoyl]-3-(3-aminopropyl)-1H-indole-2-carboxylic acid;5-[[4-[(2-amino-2-methylpropyl)carbamoyl]-1,3-thiazol-2-yl]carbamoyl]-3-(3-aminopropyl)-1H-indole-2-carboxylic acid;5-[[4-(4-amino-4-oxo-3-phenylbutanoyl)-1,3-thiazol-2-yl]carbamoyl]-3-(3-aminopropyl)-1H-indole-2-carboxylic acid;3-(3-aminopropyl)-5-[[4-[5-(dimethylamino)pentanoyl]-1,3-thiazol-2-yl]carbamoyl]-1H-indole-2-carboxylic acid;3-(3-aminopropyl)-5-[[4-(1-hydroxybutan-2-ylcarbamoyl)-1,3-thiazol-2-yl]carbamoyl]-1H-indole-2-carboxylic acid;3-(3-aminopropyl)-5-[[4-(5-hydroxypentanoyl)-1,3-thiazol-2-yl]carbamoyl]-1H-indole-2-carboxylic acid

C131H151N31O27S6 — CID 158111208

About 5-[[4-(2-aminoethylcarbamoyl)-1,3-thiazol-2-yl]carbamoyl]-3-(3-aminopropyl)-1H-indole-2-carboxylic acid;5-[[4-[(2-amino-2-methylpropyl)carbamoyl]-1,3-thiazol-2-yl]carbamoyl]-3-(3-aminopropyl)-1H-indole-2-carboxylic acid;5-[[4-(4-amino-4-oxo-3-phenylbutanoyl)-1,3-thiazol-2-yl]carbamoyl]-3-(3-aminopropyl)-1H-indole-2-carboxylic acid;3-(3-aminopropyl)-5-[[4-[5-(dimethylamino)pentanoyl]-1,3-thiazol-2-yl]carbamoyl]-1H-indole-2-carboxylic acid;3-(3-aminopropyl)-5-[[4-(1-hydroxybutan-2-ylcarbamoyl)-1,3-thiazol-2-yl]carbamoyl]-1H-indole-2-carboxylic acid;3-(3-aminopropyl)-5-[[4-(5-hydroxypentanoyl)-1,3-thiazol-2-yl]carbamoyl]-1H-indole-2-carboxylic acid

5-[[4-(2-aminoethylcarbamoyl)-1,3-thiazol-2-yl]carbamoyl]-3-(3-aminopropyl)-1H-indole-2-carboxylic acid;5-[[4-[(2-amino-2-methylpropyl)carbamoyl]-1,3-thiazol-2-yl]carbamoyl]-3-(3-aminopropyl)-1H-indole-2-carboxylic acid;5-[[4-(4-amino-4-oxo-3-phenylbutanoyl)-1,3-thiazol-2-yl]carbamoyl]-3-(3-aminopropyl)-1H-indole-2-carboxylic acid;3-(3-aminopropyl)-5-[[4-[5-(dimethylamino)pentanoyl]-1,3-thiazol-2-yl]carbamoyl]-1H-indole-2-carboxylic acid;3-(3-aminopropyl)-5-[[4-(1-hydroxybutan-2-ylcarbamoyl)-1,3-thiazol-2-yl]carbamoyl]-1H-indole-2-carboxylic acid;3-(3-aminopropyl)-5-[[4-(5-hydroxypentanoyl)-1,3-thiazol-2-yl]carbamoyl]-1H-indole-2-carboxylic acid (PubChem CID 158111208) has the molecular formula C131H151N31O27S6 and a molecular weight of 2784.24 g/mol. Its IUPAC name is 5-[[4-(2-aminoethylcarbamoyl)-1,3-thiazol-2-yl]carbamoyl]-3-(3-aminopropyl)-1H-indole-2-carboxylic acid;5-[[4-[(2-amino-2-methylpropyl)carbamoyl]-1,3-thiazol-2-yl]carbamoyl]-3-(3-aminopropyl)-1H-indole-2-carboxylic acid;5-[[4-(4-amino-4-oxo-3-phenylbutanoyl)-1,3-thiazol-2-yl]carbamoyl]-3-(3-aminopropyl)-1H-indole-2-carboxylic acid;3-(3-aminopropyl)-5-[[4-[5-(dimethylamino)pentanoyl]-1,3-thiazol-2-yl]carbamoyl]-1H-indole-2-carboxylic acid;3-(3-aminopropyl)-5-[[4-(1-hydroxybutan-2-ylcarbamoyl)-1,3-thiazol-2-yl]carbamoyl]-1H-indole-2-carboxylic acid;3-(3-aminopropyl)-5-[[4-(5-hydroxypentanoyl)-1,3-thiazol-2-yl]carbamoyl]-1H-indole-2-carboxylic acid.

Molecular Properties

• Compound Name: 5-[[4-(2-aminoethylcarbamoyl)-1,3-thiazol-2-yl]carbamoyl]-3-(3-aminopropyl)-1H-indole-2-carboxylic acid;5-[[4-[(2-amino-2-methylpropyl)carbamoyl]-1,3-thiazol-2-yl]carbamoyl]-3-(3-aminopropyl)-1H-indole-2-carboxylic acid;5-[[4-(4-amino-4-oxo-3-phenylbutanoyl)-1,3-thiazol-2-yl]carbamoyl]-3-(3-aminopropyl)-1H-indole-2-carboxylic acid;3-(3-aminopropyl)-5-[[4-[5-(dimethylamino)pentanoyl]-1,3-thiazol-2-yl]carbamoyl]-1H-indole-2-carboxylic acid;3-(3-aminopropyl)-5-[[4-(1-hydroxybutan-2-ylcarbamoyl)-1,3-thiazol-2-yl]carbamoyl]-1H-indole-2-carboxylic acid;3-(3-aminopropyl)-5-[[4-(5-hydroxypentanoyl)-1,3-thiazol-2-yl]carbamoyl]-1H-indole-2-carboxylic acid
• PubChem CID: 158111208
• Molecular Formula: C131H151N31O27S6
• Molecular Weight: 2784.24 g/mol
• Exact Mass: 2781.97
• IUPAC Name: 5-[[4-(2-aminoethylcarbamoyl)-1,3-thiazol-2-yl]carbamoyl]-3-(3-aminopropyl)-1H-indole-2-carboxylic acid;5-[[4-[(2-amino-2-methylpropyl)carbamoyl]-1,3-thiazol-2-yl]carbamoyl]-3-(3-aminopropyl)-1H-indole-2-carboxylic acid;5-[[4-(4-amino-4-oxo-3-phenylbutanoyl)-1,3-thiazol-2-yl]carbamoyl]-3-(3-aminopropyl)-1H-indole-2-carboxylic acid;3-(3-aminopropyl)-5-[[4-[5-(dimethylamino)pentanoyl]-1,3-thiazol-2-yl]carbamoyl]-1H-indole-2-carboxylic acid;3-(3-aminopropyl)-5-[[4-(1-hydroxybutan-2-ylcarbamoyl)-1,3-thiazol-2-yl]carbamoyl]-1H-indole-2-carboxylic acid;3-(3-aminopropyl)-5-[[4-(5-hydroxypentanoyl)-1,3-thiazol-2-yl]carbamoyl]-1H-indole-2-carboxylic acid
• SMILES: CC(C)(N)CNC(=O)c1csc(NC(=O)c2ccc3[nH]c(C(=O)O)c(CCCN)c3c2)n1.CCC(CO)NC(=O)c1csc(NC(=O)c2ccc3[nH]c(C(=O)O)c(CCCN)c3c2)n1.CN(C)CCCCC(=O)c1csc(NC(=O)c2ccc3[nH]c(C(=O)O)c(CCCN)c3c2)n1.NCCCc1c(C(=O)O)[nH]c2ccc(C(=O)Nc3nc(C(=O)CC(C(N)=O)c4ccccc4)cs3)cc12.NCCCc1c(C(=O)O)[nH]c2ccc(C(=O)Nc3nc(C(=O)CCCCO)cs3)cc12.NCCCc1c(C(=O)O)[nH]c2ccc(C(=O)Nc3nc(C(=O)NCCN)cs3)cc12
• InChI: InChI=1S/C26H25N5O5S.C23H29N5O4S.C21H26N6O4S.C21H25N5O5S.C21H24N4O5S.C19H22N6O4S/c27-10-4-7-16-18-11-15(8-9-19(18)29-22(16)25(35)36)24(34)31-26-30-20(13-37-26)21(32)12-17(23(28)33)14-5-2-1-3-6-14;1-28(2)11-4-3-7-19(29)18-13-33-23(26-18)27-21(30)14-8-9-17-16(12-14)15(6-5-10-24)20(25-17)22(31)32;1-21(2,23)10-24-18(29)15-9-32-20(26-15)27-17(28)11-5-6-14-13(8-11)12(4-3-7-22)16(25-14)19(30)31;1-2-12(9-27)23-19(29)16-10-32-21(25-16)26-18(28)11-5-6-15-14(8-11)13(4-3-7-22)17(24-15)20(30)31;22-8-3-4-13-14-10-12(6-7-15(14)23-18(13)20(29)30)19(28)25-21-24-16(11-31-21)17(27)5-1-2-9-26;20-5-1-2-11-12-8-10(3-4-13(12)23-15(11)18(28)29)16(26)25-19-24-14(9-30-19)17(27)22-7-6-21/h1-3,5-6,8-9,11,13,17,29H,4,7,10,12,27H2,(H2,28,33)(H,35,36)(H,30,31,34);8-9,12-13,25H,3-7,10-11,24H2,1-2H3,(H,31,32)(H,26,27,30);5-6,8-9,25H,3-4,7,10,22-23H2,1-2H3,(H,24,29)(H,30,31)(H,26,27,28);5-6,8,10,12,24,27H,2-4,7,9,22H2,1H3,(H,23,29)(H,30,31)(H,25,26,28);6-7,10-11,23,26H,1-5,8-9,22H2,(H,29,30)(H,24,25,28);3-4,8-9,23H,1-2,5-7,20-21H2,(H,22,27)(H,28,29)(H,24,25,26)
• InChIKey: FQLMAGCLTJRFKU-UHFFFAOYSA-N
• XLogP: 14.56
• TPSA: 1003.94 Ų
• H-Bond Donors: 32
• H-Bond Acceptors: 42
• Rotatable Bonds: 62
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2784.24
LogP ≤ 5	14.56
H-Bond Donors ≤ 5	32
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2-aminoethylcarbamoyl)-1,3-thiazol-2-yl]carbamoyl]-3-(3-aminopropyl)-1H-indole-2-carboxylic acid;5-[[4-[(2-amino-2-methylpropyl)carbamoyl]-1,3-thiazol-2-yl]carbamoyl]-3-(3-aminopropyl)-1H-indole-2-carboxylic acid;5-[[4-(4-amino-4-oxo-3-phenylbutanoyl)-1,3-thiazol-2-yl]carbamoyl]-3-(3-aminopropyl)-1H-indole-2-carboxylic acid;3-(3-aminopropyl)-5-[[4-[5-(dimethylamino)pentanoyl]-1,3-thiazol-2-yl]carbamoyl]-1H-indole-2-carboxylic acid;3-(3-aminopropyl)-5-[[4-(1-hydroxybutan-2-ylcarbamoyl)-1,3-thiazol-2-yl]carbamoyl]-1H-indole-2-carboxylic acid;3-(3-aminopropyl)-5-[[4-(5-hydroxypentanoyl)-1,3-thiazol-2-yl]carbamoyl]-1H-indole-2-carboxylic acid?

The IUPAC name of 5-[[4-(2-aminoethylcarbamoyl)-1,3-thiazol-2-yl]carbamoyl]-3-(3-aminopropyl)-1H-indole-2-carboxylic acid;5-[[4-[(2-amino-2-methylpropyl)carbamoyl]-1,3-thiazol-2-yl]carbamoyl]-3-(3-aminopropyl)-1H-indole-2-carboxylic acid;5-[[4-(4-amino-4-oxo-3-phenylbutanoyl)-1,3-thiazol-2-yl]carbamoyl]-3-(3-aminopropyl)-1H-indole-2-carboxylic acid;3-(3-aminopropyl)-5-[[4-[5-(dimethylamino)pentanoyl]-1,3-thiazol-2-yl]carbamoyl]-1H-indole-2-carboxylic acid;3-(3-aminopropyl)-5-[[4-(1-hydroxybutan-2-ylcarbamoyl)-1,3-thiazol-2-yl]carbamoyl]-1H-indole-2-carboxylic acid;3-(3-aminopropyl)-5-[[4-(5-hydroxypentanoyl)-1,3-thiazol-2-yl]carbamoyl]-1H-indole-2-carboxylic acid (CID 158111208) is 5-[[4-(2-aminoethylcarbamoyl)-1,3-thiazol-2-yl]carbamoyl]-3-(3-aminopropyl)-1H-indole-2-carboxylic acid;5-[[4-[(2-amino-2-methylpropyl)carbamoyl]-1,3-thiazol-2-yl]carbamoyl]-3-(3-aminopropyl)-1H-indole-2-carboxylic acid;5-[[4-(4-amino-4-oxo-3-phenylbutanoyl)-1,3-thiazol-2-yl]carbamoyl]-3-(3-aminopropyl)-1H-indole-2-carboxylic acid;3-(3-aminopropyl)-5-[[4-[5-(dimethylamino)pentanoyl]-1,3-thiazol-2-yl]carbamoyl]-1H-indole-2-carboxylic acid;3-(3-aminopropyl)-5-[[4-(1-hydroxybutan-2-ylcarbamoyl)-1,3-thiazol-2-yl]carbamoyl]-1H-indole-2-carboxylic acid;3-(3-aminopropyl)-5-[[4-(5-hydroxypentanoyl)-1,3-thiazol-2-yl]carbamoyl]-1H-indole-2-carboxylic acid.

What is the SMILES notation for 5-[[4-(2-aminoethylcarbamoyl)-1,3-thiazol-2-yl]carbamoyl]-3-(3-aminopropyl)-1H-indole-2-carboxylic acid;5-[[4-[(2-amino-2-methylpropyl)carbamoyl]-1,3-thiazol-2-yl]carbamoyl]-3-(3-aminopropyl)-1H-indole-2-carboxylic acid;5-[[4-(4-amino-4-oxo-3-phenylbutanoyl)-1,3-thiazol-2-yl]carbamoyl]-3-(3-aminopropyl)-1H-indole-2-carboxylic acid;3-(3-aminopropyl)-5-[[4-[5-(dimethylamino)pentanoyl]-1,3-thiazol-2-yl]carbamoyl]-1H-indole-2-carboxylic acid;3-(3-aminopropyl)-5-[[4-(1-hydroxybutan-2-ylcarbamoyl)-1,3-thiazol-2-yl]carbamoyl]-1H-indole-2-carboxylic acid;3-(3-aminopropyl)-5-[[4-(5-hydroxypentanoyl)-1,3-thiazol-2-yl]carbamoyl]-1H-indole-2-carboxylic acid?

The canonical SMILES for 5-[[4-(2-aminoethylcarbamoyl)-1,3-thiazol-2-yl]carbamoyl]-3-(3-aminopropyl)-1H-indole-2-carboxylic acid;5-[[4-[(2-amino-2-methylpropyl)carbamoyl]-1,3-thiazol-2-yl]carbamoyl]-3-(3-aminopropyl)-1H-indole-2-carboxylic acid;5-[[4-(4-amino-4-oxo-3-phenylbutanoyl)-1,3-thiazol-2-yl]carbamoyl]-3-(3-aminopropyl)-1H-indole-2-carboxylic acid;3-(3-aminopropyl)-5-[[4-[5-(dimethylamino)pentanoyl]-1,3-thiazol-2-yl]carbamoyl]-1H-indole-2-carboxylic acid;3-(3-aminopropyl)-5-[[4-(1-hydroxybutan-2-ylcarbamoyl)-1,3-thiazol-2-yl]carbamoyl]-1H-indole-2-carboxylic acid;3-(3-aminopropyl)-5-[[4-(5-hydroxypentanoyl)-1,3-thiazol-2-yl]carbamoyl]-1H-indole-2-carboxylic acid is CC(C)(N)CNC(=O)c1csc(NC(=O)c2ccc3[nH]c(C(=O)O)c(CCCN)c3c2)n1.CCC(CO)NC(=O)c1csc(NC(=O)c2ccc3[nH]c(C(=O)O)c(CCCN)c3c2)n1.CN(C)CCCCC(=O)c1csc(NC(=O)c2ccc3[nH]c(C(=O)O)c(CCCN)c3c2)n1.NCCCc1c(C(=O)O)[nH]c2ccc(C(=O)Nc3nc(C(=O)CC(C(N)=O)c4ccccc4)cs3)cc12.NCCCc1c(C(=O)O)[nH]c2ccc(C(=O)Nc3nc(C(=O)CCCCO)cs3)cc12.NCCCc1c(C(=O)O)[nH]c2ccc(C(=O)Nc3nc(C(=O)NCCN)cs3)cc12.

What is the InChIKey of 5-[[4-(2-aminoethylcarbamoyl)-1,3-thiazol-2-yl]carbamoyl]-3-(3-aminopropyl)-1H-indole-2-carboxylic acid;5-[[4-[(2-amino-2-methylpropyl)carbamoyl]-1,3-thiazol-2-yl]carbamoyl]-3-(3-aminopropyl)-1H-indole-2-carboxylic acid;5-[[4-(4-amino-4-oxo-3-phenylbutanoyl)-1,3-thiazol-2-yl]carbamoyl]-3-(3-aminopropyl)-1H-indole-2-carboxylic acid;3-(3-aminopropyl)-5-[[4-[5-(dimethylamino)pentanoyl]-1,3-thiazol-2-yl]carbamoyl]-1H-indole-2-carboxylic acid;3-(3-aminopropyl)-5-[[4-(1-hydroxybutan-2-ylcarbamoyl)-1,3-thiazol-2-yl]carbamoyl]-1H-indole-2-carboxylic acid;3-(3-aminopropyl)-5-[[4-(5-hydroxypentanoyl)-1,3-thiazol-2-yl]carbamoyl]-1H-indole-2-carboxylic acid?

The InChIKey is FQLMAGCLTJRFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O5S.C23H29N5O4S.C21H26N6O4S.C21H25N5O5S.C21H24N4O5S.C19H22N6O4S/c27-10-4-7-16-18-11-15(8-9-19(18)29-22(16)25(35)36)24(34)31-26-30-20(13-37-26)21(32)12-17(23(28)33)14-5-2-1-3-6-14;1-28(2)11-4-3-7-19(29)18-13-33-23(26-18)27-21(30)14-8-9-17-16(12-14)15(6-5-10-24)20(25-17)22(31)32;1-21(2,23)10-24-18(29)15-9-32-20(26-15)27-17(28)11-5-6-14-13(8-11)12(4-3-7-22)16(25-14)19(30)31;1-2-12(9-27)23-19(29)16-10-32-21(25-16)26-18(28)11-5-6-15-14(8-11)13(4-3-7-22)17(24-15)20(30)31;22-8-3-4-13-14-10-12(6-7-15(14)23-18(13)20(29)30)19(28)25-21-24-16(11-31-21)17(27)5-1-2-9-26;20-5-1-2-11-12-8-10(3-4-13(12)23-15(11)18(28)29)16(26)25-19-24-14(9-30-19)17(27)22-7-6-21/h1-3,5-6,8-9,11,13,17,29H,4,7,10,12,27H2,(H2,28,33)(H,35,36)(H,30,31,34);8-9,12-13,25H,3-7,10-11,24H2,1-2H3,(H,31,32)(H,26,27,30);5-6,8-9,25H,3-4,7,10,22-23H2,1-2H3,(H,24,29)(H,30,31)(H,26,27,28);5-6,8,10,12,24,27H,2-4,7,9,22H2,1H3,(H,23,29)(H,30,31)(H,25,26,28);6-7,10-11,23,26H,1-5,8-9,22H2,(H,29,30)(H,24,25,28);3-4,8-9,23H,1-2,5-7,20-21H2,(H,22,27)(H,28,29)(H,24,25,26).

What are the key properties of 5-[[4-(2-aminoethylcarbamoyl)-1,3-thiazol-2-yl]carbamoyl]-3-(3-aminopropyl)-1H-indole-2-carboxylic acid;5-[[4-[(2-amino-2-methylpropyl)carbamoyl]-1,3-thiazol-2-yl]carbamoyl]-3-(3-aminopropyl)-1H-indole-2-carboxylic acid;5-[[4-(4-amino-4-oxo-3-phenylbutanoyl)-1,3-thiazol-2-yl]carbamoyl]-3-(3-aminopropyl)-1H-indole-2-carboxylic acid;3-(3-aminopropyl)-5-[[4-[5-(dimethylamino)pentanoyl]-1,3-thiazol-2-yl]carbamoyl]-1H-indole-2-carboxylic acid;3-(3-aminopropyl)-5-[[4-(1-hydroxybutan-2-ylcarbamoyl)-1,3-thiazol-2-yl]carbamoyl]-1H-indole-2-carboxylic acid;3-(3-aminopropyl)-5-[[4-(5-hydroxypentanoyl)-1,3-thiazol-2-yl]carbamoyl]-1H-indole-2-carboxylic acid?

5-[[4-(2-aminoethylcarbamoyl)-1,3-thiazol-2-yl]carbamoyl]-3-(3-aminopropyl)-1H-indole-2-carboxylic acid;5-[[4-[(2-amino-2-methylpropyl)carbamoyl]-1,3-thiazol-2-yl]carbamoyl]-3-(3-aminopropyl)-1H-indole-2-carboxylic acid;5-[[4-(4-amino-4-oxo-3-phenylbutanoyl)-1,3-thiazol-2-yl]carbamoyl]-3-(3-aminopropyl)-1H-indole-2-carboxylic acid;3-(3-aminopropyl)-5-[[4-[5-(dimethylamino)pentanoyl]-1,3-thiazol-2-yl]carbamoyl]-1H-indole-2-carboxylic acid;3-(3-aminopropyl)-5-[[4-(1-hydroxybutan-2-ylcarbamoyl)-1,3-thiazol-2-yl]carbamoyl]-1H-indole-2-carboxylic acid;3-(3-aminopropyl)-5-[[4-(5-hydroxypentanoyl)-1,3-thiazol-2-yl]carbamoyl]-1H-indole-2-carboxylic acid has a molecular weight of 2784.24 g/mol, XLogP of 14.56, 62 rotatable bonds, 32 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[4-(2-aminoethylcarbamoyl)-1,3-thiazol-2-yl]carbamoyl]-3-(3-aminopropyl)-1H-indole-2-carboxylic acid;5-[[4-[(2-amino-2-methylpropyl)carbamoyl]-1,3-thiazol-2-yl]carbamoyl]-3-(3-aminopropyl)-1H-indole-2-carboxylic acid;5-[[4-(4-amino-4-oxo-3-phenylbutanoyl)-1,3-thiazol-2-yl]carbamoyl]-3-(3-aminopropyl)-1H-indole-2-carboxylic acid;3-(3-aminopropyl)-5-[[4-[5-(dimethylamino)pentanoyl]-1,3-thiazol-2-yl]carbamoyl]-1H-indole-2-carboxylic acid;3-(3-aminopropyl)-5-[[4-(1-hydroxybutan-2-ylcarbamoyl)-1,3-thiazol-2-yl]carbamoyl]-1H-indole-2-carboxylic acid;3-(3-aminopropyl)-5-[[4-(5-hydroxypentanoyl)-1,3-thiazol-2-yl]carbamoyl]-1H-indole-2-carboxylic acid is sourced from PubChem (CID 158111208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).