6-amino-N-(4-bromophenyl)-8-(furan-2-yl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-N-tert-butyl-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide;3-amino-6-methyl-4-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide;N-(3-cyano-5-ethyl-4,6-dimethylthieno[2,3-b]pyridin-2-yl)cyclopentanecarboxamide;N-(3-cyano-5-ethyl-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-2,2-dimethylpropanamide

C102H106BrF3N16O7S7 — CID 160929972

IUPAC6-amino-N-(4-bromophenyl)-8-(furan-2-yl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-N-tert-butyl-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide;3-amino-6-methyl-4-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide;N-(3-cyano-5-ethyl-4,6-dimethylthieno[2,3-b]pyridin-2-yl)cyclopentanecarboxamide;N-(3-cyano-5-ethyl-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)NC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CCCCC3.CCc1c(C)nc2sc(NC(=O)C(C)(C)C)c(C#N)c2c1C.CCc1c(C)nc2sc(NC(=O)C3CCCC3)c(C#N)c2c1C.CN1CCc2nc3sc(C(=O)Nc4ccc(OC(F)(F)F)cc4)c(N)c3c(-c3cccs3)c2C1.Nc1c(C(=O)Nc2ccc(Br)cc2)sc2nc3c(c(-c4ccco4)c12)CCCCC3
InChIInChI=1S/C23H20BrN3O2S.C23H19F3N4O2S2.C21H25N3OS2.C18H21N3OS.C17H21N3OS/c24-13-8-10-14(11-9-13)26-22(28)21-20(25)19-18(17-7-4-12-29-17)15-5-2-1-3-6-16(15)27-23(19)30-21;1-30-9-8-15-14(11-30)17(16-3-2-10-33-16)18-19(27)20(34-22(18)29-15)21(31)28-12-4-6-13(7-5-12)32-23(24,25)26;1-21(2,3)24-19(25)18-17(22)16-15(14-10-7-11-26-14)12-8-5-4-6-9-13(12)23-20(16)27-18;1-4-13-10(2)15-14(9-19)17(23-18(15)20-11(13)3)21-16(22)12-7-5-6-8-12;1-7-11-9(2)13-12(8-18)14(20-16(21)17(4,5)6)22-15(13)19-10(11)3/h4,7-12H,1-3,5-6,25H2,(H,26,28);2-7,10H,8-9,11,27H2,1H3,(H,28,31);7,10-11H,4-6,8-9,22H2,1-3H3,(H,24,25);12H,4-8H2,1-3H3,(H,21,22);7H2,1-6H3,(H,20,21)
InChIKeySTDCFJHVIZAOBT-UHFFFAOYSA-N
MW2029.44 g/mol
LogP26.38
Rot. Bonds14

About 6-amino-N-(4-bromophenyl)-8-(furan-2-yl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-N-tert-butyl-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide;3-amino-6-methyl-4-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide;N-(3-cyano-5-ethyl-4,6-dimethylthieno[2,3-b]pyridin-2-yl)cyclopentanecarboxamide;N-(3-cyano-5-ethyl-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-2,2-dimethylpropanamide

6-amino-N-(4-bromophenyl)-8-(furan-2-yl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-N-tert-butyl-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide;3-amino-6-methyl-4-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide;N-(3-cyano-5-ethyl-4,6-dimethylthieno[2,3-b]pyridin-2-yl)cyclopentanecarboxamide;N-(3-cyano-5-ethyl-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-2,2-dimethylpropanamide (PubChem CID 160929972) has the molecular formula C102H106BrF3N16O7S7 and a molecular weight of 2029.44 g/mol. Its IUPAC name is 6-amino-N-(4-bromophenyl)-8-(furan-2-yl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-N-tert-butyl-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide;3-amino-6-methyl-4-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide;N-(3-cyano-5-ethyl-4,6-dimethylthieno[2,3-b]pyridin-2-yl)cyclopentanecarboxamide;N-(3-cyano-5-ethyl-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound Name6-amino-N-(4-bromophenyl)-8-(furan-2-yl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-N-tert-butyl-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide;3-amino-6-methyl-4-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide;N-(3-cyano-5-ethyl-4,6-dimethylthieno[2,3-b]pyridin-2-yl)cyclopentanecarboxamide;N-(3-cyano-5-ethyl-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-2,2-dimethylpropanamide
PubChem CID160929972
Molecular FormulaC102H106BrF3N16O7S7
Molecular Weight2029.44 g/mol
Exact Mass2026.56
IUPAC Name6-amino-N-(4-bromophenyl)-8-(furan-2-yl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-N-tert-butyl-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide;3-amino-6-methyl-4-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide;N-(3-cyano-5-ethyl-4,6-dimethylthieno[2,3-b]pyridin-2-yl)cyclopentanecarboxamide;N-(3-cyano-5-ethyl-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)NC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CCCCC3.CCc1c(C)nc2sc(NC(=O)C(C)(C)C)c(C#N)c2c1C.CCc1c(C)nc2sc(NC(=O)C3CCCC3)c(C#N)c2c1C.CN1CCc2nc3sc(C(=O)Nc4ccc(OC(F)(F)F)cc4)c(N)c3c(-c3cccs3)c2C1.Nc1c(C(=O)Nc2ccc(Br)cc2)sc2nc3c(c(-c4ccco4)c12)CCCCC3
InChIInChI=1S/C23H20BrN3O2S.C23H19F3N4O2S2.C21H25N3OS2.C18H21N3OS.C17H21N3OS/c24-13-8-10-14(11-9-13)26-22(28)21-20(25)19-18(17-7-4-12-29-17)15-5-2-1-3-6-16(15)27-23(19)30-21;1-30-9-8-15-14(11-30)17(16-3-2-10-33-16)18-19(27)20(34-22(18)29-15)21(31)28-12-4-6-13(7-5-12)32-23(24,25)26;1-21(2,3)24-19(25)18-17(22)16-15(14-10-7-11-26-14)12-8-5-4-6-9-13(12)23-20(16)27-18;1-4-13-10(2)15-14(9-19)17(23-18(15)20-11(13)3)21-16(22)12-7-5-6-8-12;1-7-11-9(2)13-12(8-18)14(20-16(21)17(4,5)6)22-15(13)19-10(11)3/h4,7-12H,1-3,5-6,25H2,(H,26,28);2-7,10H,8-9,11,27H2,1H3,(H,28,31);7,10-11H,4-6,8-9,22H2,1-3H3,(H,24,25);12H,4-8H2,1-3H3,(H,21,22);7H2,1-6H3,(H,20,21)
InChIKeySTDCFJHVIZAOBT-UHFFFAOYSA-N
XLogP26.38
TPSA361.20 Ų
H-Bond Donors8
H-Bond Acceptors25
Rotatable Bonds14
Heavy Atoms136
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002029.44
LogP ≤ 526.38
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1025

Analyze 6-amino-N-(4-bromophenyl)-8-(furan-2-yl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-N-tert-butyl-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide;3-amino-6-methyl-4-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide;N-(3-cyano-5-ethyl-4,6-dimethylthieno[2,3-b]pyridin-2-yl)cyclopentanecarboxamide;N-(3-cyano-5-ethyl-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-2,2-dimethylpropanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(4-bromophenyl)-8-(furan-2-yl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-N-tert-butyl-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide;3-amino-6-methyl-4-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide;N-(3-cyano-5-ethyl-4,6-dimethylthieno[2,3-b]pyridin-2-yl)cyclopentanecarboxamide;N-(3-cyano-5-ethyl-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-2,2-dimethylpropanamide?
The IUPAC name of 6-amino-N-(4-bromophenyl)-8-(furan-2-yl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-N-tert-butyl-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide;3-amino-6-methyl-4-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide;N-(3-cyano-5-ethyl-4,6-dimethylthieno[2,3-b]pyridin-2-yl)cyclopentanecarboxamide;N-(3-cyano-5-ethyl-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-2,2-dimethylpropanamide (CID 160929972) is 6-amino-N-(4-bromophenyl)-8-(furan-2-yl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-N-tert-butyl-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide;3-amino-6-methyl-4-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide;N-(3-cyano-5-ethyl-4,6-dimethylthieno[2,3-b]pyridin-2-yl)cyclopentanecarboxamide;N-(3-cyano-5-ethyl-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for 6-amino-N-(4-bromophenyl)-8-(furan-2-yl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-N-tert-butyl-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide;3-amino-6-methyl-4-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide;N-(3-cyano-5-ethyl-4,6-dimethylthieno[2,3-b]pyridin-2-yl)cyclopentanecarboxamide;N-(3-cyano-5-ethyl-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-2,2-dimethylpropanamide?
The canonical SMILES for 6-amino-N-(4-bromophenyl)-8-(furan-2-yl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-N-tert-butyl-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide;3-amino-6-methyl-4-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide;N-(3-cyano-5-ethyl-4,6-dimethylthieno[2,3-b]pyridin-2-yl)cyclopentanecarboxamide;N-(3-cyano-5-ethyl-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-2,2-dimethylpropanamide is CC(C)(C)NC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CCCCC3.CCc1c(C)nc2sc(NC(=O)C(C)(C)C)c(C#N)c2c1C.CCc1c(C)nc2sc(NC(=O)C3CCCC3)c(C#N)c2c1C.CN1CCc2nc3sc(C(=O)Nc4ccc(OC(F)(F)F)cc4)c(N)c3c(-c3cccs3)c2C1.Nc1c(C(=O)Nc2ccc(Br)cc2)sc2nc3c(c(-c4ccco4)c12)CCCCC3.
What is the InChIKey of 6-amino-N-(4-bromophenyl)-8-(furan-2-yl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-N-tert-butyl-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide;3-amino-6-methyl-4-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide;N-(3-cyano-5-ethyl-4,6-dimethylthieno[2,3-b]pyridin-2-yl)cyclopentanecarboxamide;N-(3-cyano-5-ethyl-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-2,2-dimethylpropanamide?
The InChIKey is STDCFJHVIZAOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20BrN3O2S.C23H19F3N4O2S2.C21H25N3OS2.C18H21N3OS.C17H21N3OS/c24-13-8-10-14(11-9-13)26-22(28)21-20(25)19-18(17-7-4-12-29-17)15-5-2-1-3-6-16(15)27-23(19)30-21;1-30-9-8-15-14(11-30)17(16-3-2-10-33-16)18-19(27)20(34-22(18)29-15)21(31)28-12-4-6-13(7-5-12)32-23(24,25)26;1-21(2,3)24-19(25)18-17(22)16-15(14-10-7-11-26-14)12-8-5-4-6-9-13(12)23-20(16)27-18;1-4-13-10(2)15-14(9-19)17(23-18(15)20-11(13)3)21-16(22)12-7-5-6-8-12;1-7-11-9(2)13-12(8-18)14(20-16(21)17(4,5)6)22-15(13)19-10(11)3/h4,7-12H,1-3,5-6,25H2,(H,26,28);2-7,10H,8-9,11,27H2,1H3,(H,28,31);7,10-11H,4-6,8-9,22H2,1-3H3,(H,24,25);12H,4-8H2,1-3H3,(H,21,22);7H2,1-6H3,(H,20,21).
What are the key properties of 6-amino-N-(4-bromophenyl)-8-(furan-2-yl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-N-tert-butyl-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide;3-amino-6-methyl-4-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide;N-(3-cyano-5-ethyl-4,6-dimethylthieno[2,3-b]pyridin-2-yl)cyclopentanecarboxamide;N-(3-cyano-5-ethyl-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-2,2-dimethylpropanamide?
6-amino-N-(4-bromophenyl)-8-(furan-2-yl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-N-tert-butyl-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide;3-amino-6-methyl-4-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide;N-(3-cyano-5-ethyl-4,6-dimethylthieno[2,3-b]pyridin-2-yl)cyclopentanecarboxamide;N-(3-cyano-5-ethyl-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-2,2-dimethylpropanamide has a molecular weight of 2029.44 g/mol, XLogP of 26.38, 14 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(4-bromophenyl)-8-(furan-2-yl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-N-tert-butyl-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide;3-amino-6-methyl-4-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide;N-(3-cyano-5-ethyl-4,6-dimethylthieno[2,3-b]pyridin-2-yl)cyclopentanecarboxamide;N-(3-cyano-5-ethyl-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 160929972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).