5-bromo-2-phenyl-1,3-thiazole;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-5-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;diethyl-[2-[(5-formyl-2,4-dimethyl-1H-pyrrole-3-carbonyl)amino]ethyl]-methylazanium;5-(2-phenyl-1,3-thiazol-5-yl)-1,3-dihydroindol-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one

C86H95BBrN12O8S3+ — CID 159603182

IUPAC5-bromo-2-phenyl-1,3-thiazole;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-5-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;diethyl-[2-[(5-formyl-2,4-dimethyl-1H-pyrrole-3-carbonyl)amino]ethyl]-methylazanium;5-(2-phenyl-1,3-thiazol-5-yl)-1,3-dihydroindol-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one
SMILESBrc1cnc(-c2ccccc2)s1.CC1(C)OB(c2ccc3c(c2)CC(=O)N3)OC1(C)C.CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4cnc(-c5ccccc5)s4)cc32)c1C.CC[N+](C)(CC)CCNC(=O)c1c(C)[nH]c(C=O)c1C.O=C1Cc2cc(-c3cnc(-c4ccccc4)s3)ccc2N1
InChIInChI=1S/C31H33N5O2S.C17H12N2OS.C15H25N3O2.C14H18BNO3.C9H6BrNS/c1-5-36(6-2)15-14-32-30(38)28-19(3)26(34-20(28)4)17-24-23-16-22(12-13-25(23)35-29(24)37)27-18-33-31(39-27)21-10-8-7-9-11-21;20-16-9-13-8-12(6-7-14(13)19-16)15-10-18-17(21-15)11-4-2-1-3-5-11;1-6-18(5,7-2)9-8-16-15(20)14-11(3)13(10-19)17-12(14)4;1-13(2)14(3,4)19-15(18-13)10-5-6-11-9(7-10)8-12(17)16-11;10-8-6-11-9(12-8)7-4-2-1-3-5-7/h7-13,16-18,34H,5-6,14-15H2,1-4H3,(H,32,38)(H,35,37);1-8,10H,9H2,(H,19,20);10H,6-9H2,1-5H3,(H-,16,17,19,20);5-7H,8H2,1-4H3,(H,16,17);1-6H/p+1/b24-17-;;;;
InChIKeyMPNSPZZNAVJQPU-BLROEBPZSA-O
MW1611.70 g/mol
LogP16.67
Rot. Bonds20

About 5-bromo-2-phenyl-1,3-thiazole;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-5-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;diethyl-[2-[(5-formyl-2,4-dimethyl-1H-pyrrole-3-carbonyl)amino]ethyl]-methylazanium;5-(2-phenyl-1,3-thiazol-5-yl)-1,3-dihydroindol-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one

5-bromo-2-phenyl-1,3-thiazole;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-5-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;diethyl-[2-[(5-formyl-2,4-dimethyl-1H-pyrrole-3-carbonyl)amino]ethyl]-methylazanium;5-(2-phenyl-1,3-thiazol-5-yl)-1,3-dihydroindol-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one (PubChem CID 159603182) has the molecular formula C86H95BBrN12O8S3+ and a molecular weight of 1611.70 g/mol. Its IUPAC name is 5-bromo-2-phenyl-1,3-thiazole;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-5-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;diethyl-[2-[(5-formyl-2,4-dimethyl-1H-pyrrole-3-carbonyl)amino]ethyl]-methylazanium;5-(2-phenyl-1,3-thiazol-5-yl)-1,3-dihydroindol-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-bromo-2-phenyl-1,3-thiazole;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-5-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;diethyl-[2-[(5-formyl-2,4-dimethyl-1H-pyrrole-3-carbonyl)amino]ethyl]-methylazanium;5-(2-phenyl-1,3-thiazol-5-yl)-1,3-dihydroindol-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one
PubChem CID159603182
Molecular FormulaC86H95BBrN12O8S3+
Molecular Weight1611.70 g/mol
Exact Mass1609.58
IUPAC Name5-bromo-2-phenyl-1,3-thiazole;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-5-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;diethyl-[2-[(5-formyl-2,4-dimethyl-1H-pyrrole-3-carbonyl)amino]ethyl]-methylazanium;5-(2-phenyl-1,3-thiazol-5-yl)-1,3-dihydroindol-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one
SMILESBrc1cnc(-c2ccccc2)s1.CC1(C)OB(c2ccc3c(c2)CC(=O)N3)OC1(C)C.CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4cnc(-c5ccccc5)s4)cc32)c1C.CC[N+](C)(CC)CCNC(=O)c1c(C)[nH]c(C=O)c1C.O=C1Cc2cc(-c3cnc(-c4ccccc4)s3)ccc2N1
InChIInChI=1S/C31H33N5O2S.C17H12N2OS.C15H25N3O2.C14H18BNO3.C9H6BrNS/c1-5-36(6-2)15-14-32-30(38)28-19(3)26(34-20(28)4)17-24-23-16-22(12-13-25(23)35-29(24)37)27-18-33-31(39-27)21-10-8-7-9-11-21;20-16-9-13-8-12(6-7-14(13)19-16)15-10-18-17(21-15)11-4-2-1-3-5-11;1-6-18(5,7-2)9-8-16-15(20)14-11(3)13(10-19)17-12(14)4;1-13(2)14(3,4)19-15(18-13)10-5-6-11-9(7-10)8-12(17)16-11;10-8-6-11-9(12-8)7-4-2-1-3-5-7/h7-13,16-18,34H,5-6,14-15H2,1-4H3,(H,32,38)(H,35,37);1-8,10H,9H2,(H,19,20);10H,6-9H2,1-5H3,(H-,16,17,19,20);5-7H,8H2,1-4H3,(H,16,17);1-6H/p+1/b24-17-;;;;
InChIKeyMPNSPZZNAVJQPU-BLROEBPZSA-O
XLogP16.67
TPSA254.52 Ų
H-Bond Donors7
H-Bond Acceptors15
Rotatable Bonds20
Heavy Atoms111
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001611.70
LogP ≤ 516.67
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 5-bromo-2-phenyl-1,3-thiazole;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-5-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;diethyl-[2-[(5-formyl-2,4-dimethyl-1H-pyrrole-3-carbonyl)amino]ethyl]-methylazanium;5-(2-phenyl-1,3-thiazol-5-yl)-1,3-dihydroindol-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one with MolForge

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Related Compounds

2-bromo-5-phenyl-1,3,4-oxadiazole;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-phenyl-1,3,4-oxadiazol-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,3-dihydroindol-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one
CID 158335787
N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[[2-oxo-5-(2-phenyl-1,3-thiazol-5-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide
CID 123324881
N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[[2-oxo-6-(5-phenylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide
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5-[(5-bromo-2-oxo-1H-indol-3-ylidene)methyl]-N-[2-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
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N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N',N'-diethylethane-1,2-diamine;ethyl 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate;ethyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate;5-fluoro-1,3-dihydroindol-2-one
CID 157471598
N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-2-one
CID 145431748
N-[2-(diethylamino)ethyl]-5-[(Z)-(5-isoquinolin-1-yl-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 118696323
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
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3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indole-5-carboxylic acid
CID 123885936
N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1H-indol-2-one
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N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-ylidene]methyl]-1H-pyrrole-3-carboxamide
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5-[(Z)-(5-tert-butyl-2-oxo-1H-indol-3-ylidene)methyl]-N-[2-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 126706116

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-phenyl-1,3-thiazole;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-5-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;diethyl-[2-[(5-formyl-2,4-dimethyl-1H-pyrrole-3-carbonyl)amino]ethyl]-methylazanium;5-(2-phenyl-1,3-thiazol-5-yl)-1,3-dihydroindol-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-bromo-2-phenyl-1,3-thiazole;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-5-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;diethyl-[2-[(5-formyl-2,4-dimethyl-1H-pyrrole-3-carbonyl)amino]ethyl]-methylazanium;5-(2-phenyl-1,3-thiazol-5-yl)-1,3-dihydroindol-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one (CID 159603182) is 5-bromo-2-phenyl-1,3-thiazole;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-5-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;diethyl-[2-[(5-formyl-2,4-dimethyl-1H-pyrrole-3-carbonyl)amino]ethyl]-methylazanium;5-(2-phenyl-1,3-thiazol-5-yl)-1,3-dihydroindol-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-bromo-2-phenyl-1,3-thiazole;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-5-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;diethyl-[2-[(5-formyl-2,4-dimethyl-1H-pyrrole-3-carbonyl)amino]ethyl]-methylazanium;5-(2-phenyl-1,3-thiazol-5-yl)-1,3-dihydroindol-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-bromo-2-phenyl-1,3-thiazole;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-5-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;diethyl-[2-[(5-formyl-2,4-dimethyl-1H-pyrrole-3-carbonyl)amino]ethyl]-methylazanium;5-(2-phenyl-1,3-thiazol-5-yl)-1,3-dihydroindol-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one is Brc1cnc(-c2ccccc2)s1.CC1(C)OB(c2ccc3c(c2)CC(=O)N3)OC1(C)C.CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4cnc(-c5ccccc5)s4)cc32)c1C.CC[N+](C)(CC)CCNC(=O)c1c(C)[nH]c(C=O)c1C.O=C1Cc2cc(-c3cnc(-c4ccccc4)s3)ccc2N1.
What is the InChIKey of 5-bromo-2-phenyl-1,3-thiazole;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-5-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;diethyl-[2-[(5-formyl-2,4-dimethyl-1H-pyrrole-3-carbonyl)amino]ethyl]-methylazanium;5-(2-phenyl-1,3-thiazol-5-yl)-1,3-dihydroindol-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one?
The InChIKey is MPNSPZZNAVJQPU-BLROEBPZSA-O. The full InChI is InChI=1S/C31H33N5O2S.C17H12N2OS.C15H25N3O2.C14H18BNO3.C9H6BrNS/c1-5-36(6-2)15-14-32-30(38)28-19(3)26(34-20(28)4)17-24-23-16-22(12-13-25(23)35-29(24)37)27-18-33-31(39-27)21-10-8-7-9-11-21;20-16-9-13-8-12(6-7-14(13)19-16)15-10-18-17(21-15)11-4-2-1-3-5-11;1-6-18(5,7-2)9-8-16-15(20)14-11(3)13(10-19)17-12(14)4;1-13(2)14(3,4)19-15(18-13)10-5-6-11-9(7-10)8-12(17)16-11;10-8-6-11-9(12-8)7-4-2-1-3-5-7/h7-13,16-18,34H,5-6,14-15H2,1-4H3,(H,32,38)(H,35,37);1-8,10H,9H2,(H,19,20);10H,6-9H2,1-5H3,(H-,16,17,19,20);5-7H,8H2,1-4H3,(H,16,17);1-6H/p+1/b24-17-;;;;.
What are the key properties of 5-bromo-2-phenyl-1,3-thiazole;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-5-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;diethyl-[2-[(5-formyl-2,4-dimethyl-1H-pyrrole-3-carbonyl)amino]ethyl]-methylazanium;5-(2-phenyl-1,3-thiazol-5-yl)-1,3-dihydroindol-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one?
5-bromo-2-phenyl-1,3-thiazole;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-5-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;diethyl-[2-[(5-formyl-2,4-dimethyl-1H-pyrrole-3-carbonyl)amino]ethyl]-methylazanium;5-(2-phenyl-1,3-thiazol-5-yl)-1,3-dihydroindol-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one has a molecular weight of 1611.70 g/mol, XLogP of 16.67, 20 rotatable bonds, 7 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-phenyl-1,3-thiazole;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-5-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;diethyl-[2-[(5-formyl-2,4-dimethyl-1H-pyrrole-3-carbonyl)amino]ethyl]-methylazanium;5-(2-phenyl-1,3-thiazol-5-yl)-1,3-dihydroindol-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 159603182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).