N-[2-(diethylamino)ethyl]-N,2,4-trimethyl-5-[(Z)-[5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;diethyl-methyl-[2-(methylamino)ethyl]azanium;2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid

C66H77N10O5S2+ — CID 160718382

About N-[2-(diethylamino)ethyl]-N,2,4-trimethyl-5-[(Z)-[5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;diethyl-methyl-[2-(methylamino)ethyl]azanium;2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid

N-[2-(diethylamino)ethyl]-N,2,4-trimethyl-5-[(Z)-[5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;diethyl-methyl-[2-(methylamino)ethyl]azanium;2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid (PubChem CID 160718382) has the molecular formula C66H77N10O5S2+ and a molecular weight of 1154.54 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-N,2,4-trimethyl-5-[(Z)-[5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;diethyl-methyl-[2-(methylamino)ethyl]azanium;2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid.

Molecular Properties

• Compound Name: N-[2-(diethylamino)ethyl]-N,2,4-trimethyl-5-[(Z)-[5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;diethyl-methyl-[2-(methylamino)ethyl]azanium;2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid
• PubChem CID: 160718382
• Molecular Formula: C66H77N10O5S2+
• Molecular Weight: 1154.54 g/mol
• Exact Mass: 1153.55
• IUPAC Name: N-[2-(diethylamino)ethyl]-N,2,4-trimethyl-5-[(Z)-[5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;diethyl-methyl-[2-(methylamino)ethyl]azanium;2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid
• SMILES: CCN(CC)CCN(C)C(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4csc(-c5ccc(C)cc5)n4)cc32)c1C.CC[N+](C)(CC)CCNC.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4csc(-c5ccccc5)n4)cc32)c(C)c1C(=O)O
• InChI: InChI=1S/C33H37N5O2S.C25H19N3O3S.C8H21N2/c1-7-38(8-2)16-15-37(6)33(40)30-21(4)28(34-22(30)5)18-26-25-17-24(13-14-27(25)35-31(26)39)29-19-41-32(36-29)23-11-9-20(3)10-12-23;1-13-20(26-14(2)22(13)25(30)31)11-18-17-10-16(8-9-19(17)27-23(18)29)21-12-32-24(28-21)15-6-4-3-5-7-15;1-5-10(4,6-2)8-7-9-3/h9-14,17-19,34H,7-8,15-16H2,1-6H3,(H,35,39);3-12,26H,1-2H3,(H,27,29)(H,30,31);9H,5-8H2,1-4H3/q;;+1/b26-18-;18-11-
• InChIKey: LEMQHTRCOURLSX-JHFIZTIHSA-N
• XLogP: 12.94
• TPSA: 188.44 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 18
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1154.54
LogP ≤ 5	12.94
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-N,2,4-trimethyl-5-[(Z)-[5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;diethyl-methyl-[2-(methylamino)ethyl]azanium;2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid?

The IUPAC name of N-[2-(diethylamino)ethyl]-N,2,4-trimethyl-5-[(Z)-[5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;diethyl-methyl-[2-(methylamino)ethyl]azanium;2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid (CID 160718382) is N-[2-(diethylamino)ethyl]-N,2,4-trimethyl-5-[(Z)-[5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;diethyl-methyl-[2-(methylamino)ethyl]azanium;2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid.

What is the SMILES notation for N-[2-(diethylamino)ethyl]-N,2,4-trimethyl-5-[(Z)-[5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;diethyl-methyl-[2-(methylamino)ethyl]azanium;2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid?

The canonical SMILES for N-[2-(diethylamino)ethyl]-N,2,4-trimethyl-5-[(Z)-[5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;diethyl-methyl-[2-(methylamino)ethyl]azanium;2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid is CCN(CC)CCN(C)C(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4csc(-c5ccc(C)cc5)n4)cc32)c1C.CC[N+](C)(CC)CCNC.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4csc(-c5ccccc5)n4)cc32)c(C)c1C(=O)O.

What is the InChIKey of N-[2-(diethylamino)ethyl]-N,2,4-trimethyl-5-[(Z)-[5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;diethyl-methyl-[2-(methylamino)ethyl]azanium;2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid?

The InChIKey is LEMQHTRCOURLSX-JHFIZTIHSA-N. The full InChI is InChI=1S/C33H37N5O2S.C25H19N3O3S.C8H21N2/c1-7-38(8-2)16-15-37(6)33(40)30-21(4)28(34-22(30)5)18-26-25-17-24(13-14-27(25)35-31(26)39)29-19-41-32(36-29)23-11-9-20(3)10-12-23;1-13-20(26-14(2)22(13)25(30)31)11-18-17-10-16(8-9-19(17)27-23(18)29)21-12-32-24(28-21)15-6-4-3-5-7-15;1-5-10(4,6-2)8-7-9-3/h9-14,17-19,34H,7-8,15-16H2,1-6H3,(H,35,39);3-12,26H,1-2H3,(H,27,29)(H,30,31);9H,5-8H2,1-4H3/q;;+1/b26-18-;18-11-;.

What are the key properties of N-[2-(diethylamino)ethyl]-N,2,4-trimethyl-5-[(Z)-[5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;diethyl-methyl-[2-(methylamino)ethyl]azanium;2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid?

N-[2-(diethylamino)ethyl]-N,2,4-trimethyl-5-[(Z)-[5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;diethyl-methyl-[2-(methylamino)ethyl]azanium;2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid has a molecular weight of 1154.54 g/mol, XLogP of 12.94, 18 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(diethylamino)ethyl]-N,2,4-trimethyl-5-[(Z)-[5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;diethyl-methyl-[2-(methylamino)ethyl]azanium;2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 160718382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).