N-[2-(diethylamino)ethyl]-4-methyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-2-carboxamide;N',N'-diethylethane-1,2-diamine;4-methyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-2-carboxylic acid

C60H64N10O5S2 — CID 158742977

About N-[2-(diethylamino)ethyl]-4-methyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-2-carboxamide;N',N'-diethylethane-1,2-diamine;4-methyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-2-carboxylic acid

N-[2-(diethylamino)ethyl]-4-methyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-2-carboxamide;N',N'-diethylethane-1,2-diamine;4-methyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-2-carboxylic acid (PubChem CID 158742977) has the molecular formula C60H64N10O5S2 and a molecular weight of 1069.37 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-4-methyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-2-carboxamide;N',N'-diethylethane-1,2-diamine;4-methyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-2-carboxylic acid.

Molecular Properties

• Compound Name: N-[2-(diethylamino)ethyl]-4-methyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-2-carboxamide;N',N'-diethylethane-1,2-diamine;4-methyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-2-carboxylic acid
• PubChem CID: 158742977
• Molecular Formula: C60H64N10O5S2
• Molecular Weight: 1069.37 g/mol
• Exact Mass: 1068.45
• IUPAC Name: N-[2-(diethylamino)ethyl]-4-methyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-2-carboxamide;N',N'-diethylethane-1,2-diamine;4-methyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-2-carboxylic acid
• SMILES: CCN(CC)CCN.CCN(CC)CCNC(=O)c1cc(C)c(/C=C2\C(=O)Nc3ccc(-c4csc(-c5ccccc5)n4)cc32)[nH]1.Cc1cc(C(=O)O)[nH]c1/C=C1\C(=O)Nc2ccc(-c3csc(-c4ccccc4)n3)cc21
• InChI: InChI=1S/C30H31N5O2S.C24H17N3O3S.C6H16N2/c1-4-35(5-2)14-13-31-29(37)26-15-19(3)25(32-26)17-23-22-16-21(11-12-24(22)33-28(23)36)27-18-38-30(34-27)20-9-7-6-8-10-20;1-13-9-20(24(29)30)25-19(13)11-17-16-10-15(7-8-18(16)26-22(17)28)21-12-31-23(27-21)14-5-3-2-4-6-14;1-3-8(4-2)6-5-7/h6-12,15-18,32H,4-5,13-14H2,1-3H3,(H,31,37)(H,33,36);2-12,25H,1H3,(H,26,28)(H,29,30);3-7H2,1-2H3/b23-17-;17-11-
• InChIKey: IMNMGMIIPZONJH-XUEMUBIWSA-N
• XLogP: 11.27
• TPSA: 214.46 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 11
• Rotatable Bonds: 17
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1069.37
LogP ≤ 5	11.27
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-4-methyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-2-carboxamide;N',N'-diethylethane-1,2-diamine;4-methyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-2-carboxylic acid?

The IUPAC name of N-[2-(diethylamino)ethyl]-4-methyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-2-carboxamide;N',N'-diethylethane-1,2-diamine;4-methyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-2-carboxylic acid (CID 158742977) is N-[2-(diethylamino)ethyl]-4-methyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-2-carboxamide;N',N'-diethylethane-1,2-diamine;4-methyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-2-carboxylic acid.

What is the SMILES notation for N-[2-(diethylamino)ethyl]-4-methyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-2-carboxamide;N',N'-diethylethane-1,2-diamine;4-methyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-2-carboxylic acid?

The canonical SMILES for N-[2-(diethylamino)ethyl]-4-methyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-2-carboxamide;N',N'-diethylethane-1,2-diamine;4-methyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-2-carboxylic acid is CCN(CC)CCN.CCN(CC)CCNC(=O)c1cc(C)c(/C=C2\C(=O)Nc3ccc(-c4csc(-c5ccccc5)n4)cc32)[nH]1.Cc1cc(C(=O)O)[nH]c1/C=C1\C(=O)Nc2ccc(-c3csc(-c4ccccc4)n3)cc21.

What is the InChIKey of N-[2-(diethylamino)ethyl]-4-methyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-2-carboxamide;N',N'-diethylethane-1,2-diamine;4-methyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-2-carboxylic acid?

The InChIKey is IMNMGMIIPZONJH-XUEMUBIWSA-N. The full InChI is InChI=1S/C30H31N5O2S.C24H17N3O3S.C6H16N2/c1-4-35(5-2)14-13-31-29(37)26-15-19(3)25(32-26)17-23-22-16-21(11-12-24(22)33-28(23)36)27-18-38-30(34-27)20-9-7-6-8-10-20;1-13-9-20(24(29)30)25-19(13)11-17-16-10-15(7-8-18(16)26-22(17)28)21-12-31-23(27-21)14-5-3-2-4-6-14;1-3-8(4-2)6-5-7/h6-12,15-18,32H,4-5,13-14H2,1-3H3,(H,31,37)(H,33,36);2-12,25H,1H3,(H,26,28)(H,29,30);3-7H2,1-2H3/b23-17-;17-11-;.

What are the key properties of N-[2-(diethylamino)ethyl]-4-methyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-2-carboxamide;N',N'-diethylethane-1,2-diamine;4-methyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-2-carboxylic acid?

N-[2-(diethylamino)ethyl]-4-methyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-2-carboxamide;N',N'-diethylethane-1,2-diamine;4-methyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-2-carboxylic acid has a molecular weight of 1069.37 g/mol, XLogP of 11.27, 17 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(diethylamino)ethyl]-4-methyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-2-carboxamide;N',N'-diethylethane-1,2-diamine;4-methyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 158742977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).