3-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)indole-6-carboxamide;3-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)indole-6-carboxamide;1-ethyl-6-methoxy-2-(4-methoxyphenyl)-3-nitroindole;methyl 1-(4-methoxyphenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)indole-6-carboxylate

C91H77Cl2N11O11S3 — CID 160923694

IUPAC3-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)indole-6-carboxamide;3-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)indole-6-carboxamide;1-ethyl-6-methoxy-2-(4-methoxyphenyl)-3-nitroindole;methyl 1-(4-methoxyphenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)indole-6-carboxylate
SMILESCCn1c(-c2ccc(OC)cc2)c([N+](=O)[O-])c2ccc(OC)cc21.COC(=O)c1ccc2c(-c3nc(-c4ccncc4)cs3)cn(-c3ccc(OC)cc3)c2c1.COc1ccc(-n2cc(-c3nc(-c4ccc(Cl)c(Cl)c4)cs3)c3ccc(C(N)=O)cc32)cc1.COc1ccc(-n2cc(-c3nc(C(C)(C)C)cs3)c3ccc(C(N)=O)cc32)cc1
InChIInChI=1S/C25H17Cl2N3O2S.C25H19N3O3S.C23H23N3O2S.C18H18N2O4/c1-32-17-6-4-16(5-7-17)30-12-19(18-8-2-15(24(28)31)11-23(18)30)25-29-22(13-33-25)14-3-9-20(26)21(27)10-14;1-30-19-6-4-18(5-7-19)28-14-21(20-8-3-17(13-23(20)28)25(29)31-2)24-27-22(15-32-24)16-9-11-26-12-10-16;1-23(2,3)20-13-29-22(25-20)18-12-26(15-6-8-16(28-4)9-7-15)19-11-14(21(24)27)5-10-17(18)19;1-4-19-16-11-14(24-3)9-10-15(16)18(20(21)22)17(19)12-5-7-13(23-2)8-6-12/h2-13H,1H3,(H2,28,31);3-15H,1-2H3;5-13H,1-4H3,(H2,24,27);5-11H,4H2,1-3H3
InChIKeySSJDQHXCVZFTNR-UHFFFAOYSA-N
MW1667.79 g/mol
LogP21.86
Rot. Bonds19

About 3-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)indole-6-carboxamide;3-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)indole-6-carboxamide;1-ethyl-6-methoxy-2-(4-methoxyphenyl)-3-nitroindole;methyl 1-(4-methoxyphenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)indole-6-carboxylate

3-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)indole-6-carboxamide;3-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)indole-6-carboxamide;1-ethyl-6-methoxy-2-(4-methoxyphenyl)-3-nitroindole;methyl 1-(4-methoxyphenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)indole-6-carboxylate (PubChem CID 160923694) has the molecular formula C91H77Cl2N11O11S3 and a molecular weight of 1667.79 g/mol. Its IUPAC name is 3-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)indole-6-carboxamide;3-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)indole-6-carboxamide;1-ethyl-6-methoxy-2-(4-methoxyphenyl)-3-nitroindole;methyl 1-(4-methoxyphenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)indole-6-carboxylate.

Molecular Properties

Compound Name3-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)indole-6-carboxamide;3-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)indole-6-carboxamide;1-ethyl-6-methoxy-2-(4-methoxyphenyl)-3-nitroindole;methyl 1-(4-methoxyphenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)indole-6-carboxylate
PubChem CID160923694
Molecular FormulaC91H77Cl2N11O11S3
Molecular Weight1667.79 g/mol
Exact Mass1665.43
IUPAC Name3-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)indole-6-carboxamide;3-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)indole-6-carboxamide;1-ethyl-6-methoxy-2-(4-methoxyphenyl)-3-nitroindole;methyl 1-(4-methoxyphenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)indole-6-carboxylate
SMILESCCn1c(-c2ccc(OC)cc2)c([N+](=O)[O-])c2ccc(OC)cc21.COC(=O)c1ccc2c(-c3nc(-c4ccncc4)cs3)cn(-c3ccc(OC)cc3)c2c1.COc1ccc(-n2cc(-c3nc(-c4ccc(Cl)c(Cl)c4)cs3)c3ccc(C(N)=O)cc32)cc1.COc1ccc(-n2cc(-c3nc(C(C)(C)C)cs3)c3ccc(C(N)=O)cc32)cc1
InChIInChI=1S/C25H17Cl2N3O2S.C25H19N3O3S.C23H23N3O2S.C18H18N2O4/c1-32-17-6-4-16(5-7-17)30-12-19(18-8-2-15(24(28)31)11-23(18)30)25-29-22(13-33-25)14-3-9-20(26)21(27)10-14;1-30-19-6-4-18(5-7-19)28-14-21(20-8-3-17(13-23(20)28)25(29)31-2)24-27-22(15-32-24)16-9-11-26-12-10-16;1-23(2,3)20-13-29-22(25-20)18-12-26(15-6-8-16(28-4)9-7-15)19-11-14(21(24)27)5-10-17(18)19;1-4-19-16-11-14(24-3)9-10-15(16)18(20(21)22)17(19)12-5-7-13(23-2)8-6-12/h2-13H,1H3,(H2,28,31);3-15H,1-2H3;5-13H,1-4H3,(H2,24,27);5-11H,4H2,1-3H3
InChIKeySSJDQHXCVZFTNR-UHFFFAOYSA-N
XLogP21.86
TPSA273.05 Ų
H-Bond Donors2
H-Bond Acceptors22
Rotatable Bonds19
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001667.79
LogP ≤ 521.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 3-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)indole-6-carboxamide;3-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)indole-6-carboxamide;1-ethyl-6-methoxy-2-(4-methoxyphenyl)-3-nitroindole;methyl 1-(4-methoxyphenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)indole-6-carboxylate with MolForge

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Related Compounds

5-Bromo-1-ethylindole-3-carbonitrile;5-bromo-1-propylindole-3-carbonitrile;3-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)indole-6-carboxamide;ethyl 4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzoate;1-ethyl-6-methoxy-2-(4-methoxyphenyl)-3-nitroindole
CID 157992871
3-(4-Tert-butyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)indole-6-carboxamide;3-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)indole-6-carboxamide;1-ethyl-6-methoxy-2-(phenoxymethyl)indole-3-carbonitrile;1-(4-ethylphenyl)-2-(3-methylphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)indole-6-carboxamide;bis(6-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile);6-methoxy-1-methyl-2-(3-methylphenyl)indole-3-carbonitrile;methyl 1-(4-methoxyphenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)indole-6-carboxylate
CID 159142737
3-(4-Tert-butyl-1,3-thiazol-2-yl)-1-methylindole-6-carboxamide;3-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)indole-6-carboxamide;1-ethyl-6-methoxy-2-(4-methoxyphenyl)-3-nitroindole;methyl 1-(4-methoxyphenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)indole-6-carboxylate
CID 159951355
1-(1,3-Benzodioxol-5-yl)-6-fluoroindole-3-carbonitrile;1-(1,3-benzodioxol-5-yl)-6-methylindole-3-carbonitrile;5-bromo-1-ethylindole-3-carbonitrile;5-bromo-1-propylindole-3-carbonitrile;3-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)indole-6-carboxamide;3-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)indole-6-carboxamide;ethyl 4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzoate;1-ethyl-6-methoxy-2-(4-methoxyphenyl)-3-nitroindole;1-(4-methoxyphenyl)-6-methylindole-3-carbonitrile;methyl 1-(4-methoxyphenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)indole-6-carboxylate
CID 160061694
3-(4-Tert-butyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)indole-6-carboxamide;3-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)indole-6-carboxamide;1-(4-methoxyphenyl)-6-methylindole-3-carbonitrile;methyl 1-(4-methoxyphenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)indole-6-carboxylate
CID 160245678
1-(1,3-Benzodioxol-5-yl)-6-fluoroindole-3-carbonitrile;5-bromo-1-ethylindole-3-carbonitrile;5-bromo-1-propylindole-3-carbonitrile;3-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)indole-6-carboxamide;ethyl 4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzoate;1-ethyl-6-methoxy-2-(4-methoxyphenyl)-3-nitroindole
CID 160619184
5-Bromo-1-ethylindole-3-carbonitrile;5-bromo-1-propylindole-3-carbonitrile;3-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)indole-6-carboxamide;1-ethyl-6-methoxy-2-(4-methoxyphenyl)-3-nitroindole;methyl 1-(4-methoxyphenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)indole-6-carboxylate
CID 162249875

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)indole-6-carboxamide;3-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)indole-6-carboxamide;1-ethyl-6-methoxy-2-(4-methoxyphenyl)-3-nitroindole;methyl 1-(4-methoxyphenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)indole-6-carboxylate?
The IUPAC name of 3-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)indole-6-carboxamide;3-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)indole-6-carboxamide;1-ethyl-6-methoxy-2-(4-methoxyphenyl)-3-nitroindole;methyl 1-(4-methoxyphenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)indole-6-carboxylate (CID 160923694) is 3-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)indole-6-carboxamide;3-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)indole-6-carboxamide;1-ethyl-6-methoxy-2-(4-methoxyphenyl)-3-nitroindole;methyl 1-(4-methoxyphenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)indole-6-carboxylate.
What is the SMILES notation for 3-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)indole-6-carboxamide;3-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)indole-6-carboxamide;1-ethyl-6-methoxy-2-(4-methoxyphenyl)-3-nitroindole;methyl 1-(4-methoxyphenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)indole-6-carboxylate?
The canonical SMILES for 3-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)indole-6-carboxamide;3-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)indole-6-carboxamide;1-ethyl-6-methoxy-2-(4-methoxyphenyl)-3-nitroindole;methyl 1-(4-methoxyphenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)indole-6-carboxylate is CCn1c(-c2ccc(OC)cc2)c([N+](=O)[O-])c2ccc(OC)cc21.COC(=O)c1ccc2c(-c3nc(-c4ccncc4)cs3)cn(-c3ccc(OC)cc3)c2c1.COc1ccc(-n2cc(-c3nc(-c4ccc(Cl)c(Cl)c4)cs3)c3ccc(C(N)=O)cc32)cc1.COc1ccc(-n2cc(-c3nc(C(C)(C)C)cs3)c3ccc(C(N)=O)cc32)cc1.
What is the InChIKey of 3-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)indole-6-carboxamide;3-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)indole-6-carboxamide;1-ethyl-6-methoxy-2-(4-methoxyphenyl)-3-nitroindole;methyl 1-(4-methoxyphenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)indole-6-carboxylate?
The InChIKey is SSJDQHXCVZFTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17Cl2N3O2S.C25H19N3O3S.C23H23N3O2S.C18H18N2O4/c1-32-17-6-4-16(5-7-17)30-12-19(18-8-2-15(24(28)31)11-23(18)30)25-29-22(13-33-25)14-3-9-20(26)21(27)10-14;1-30-19-6-4-18(5-7-19)28-14-21(20-8-3-17(13-23(20)28)25(29)31-2)24-27-22(15-32-24)16-9-11-26-12-10-16;1-23(2,3)20-13-29-22(25-20)18-12-26(15-6-8-16(28-4)9-7-15)19-11-14(21(24)27)5-10-17(18)19;1-4-19-16-11-14(24-3)9-10-15(16)18(20(21)22)17(19)12-5-7-13(23-2)8-6-12/h2-13H,1H3,(H2,28,31);3-15H,1-2H3;5-13H,1-4H3,(H2,24,27);5-11H,4H2,1-3H3.
What are the key properties of 3-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)indole-6-carboxamide;3-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)indole-6-carboxamide;1-ethyl-6-methoxy-2-(4-methoxyphenyl)-3-nitroindole;methyl 1-(4-methoxyphenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)indole-6-carboxylate?
3-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)indole-6-carboxamide;3-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)indole-6-carboxamide;1-ethyl-6-methoxy-2-(4-methoxyphenyl)-3-nitroindole;methyl 1-(4-methoxyphenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)indole-6-carboxylate has a molecular weight of 1667.79 g/mol, XLogP of 21.86, 19 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)indole-6-carboxamide;3-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)indole-6-carboxamide;1-ethyl-6-methoxy-2-(4-methoxyphenyl)-3-nitroindole;methyl 1-(4-methoxyphenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)indole-6-carboxylate is sourced from PubChem (CID 160923694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).