bis(N-[6-(1H-benzimidazol-2-yl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide);N-[6-(1,3-benzoxazol-2-yl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide;N-[6-[2-(furan-2-yl)-2-oxoethyl]-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide;N-(6-phenacyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;N-[6-(pyrrolidine-1-carbonyl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide;N-[7-(trifluoromethyl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide

C190H132F3N23O15S9 — CID 161199063

IUPACbis(N-[6-(1H-benzimidazol-2-yl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide);N-[6-(1,3-benzoxazol-2-yl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide;N-[6-[2-(furan-2-yl)-2-oxoethyl]-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide;N-(6-phenacyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;N-[6-(pyrrolidine-1-carbonyl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide;N-[7-(trifluoromethyl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide
SMILESO=C(Cc1ccc2nc(NC(=O)c3ccc4ccccc4c3)sc2c1)c1ccccc1.O=C(Nc1nc2ccc(-c3nc4ccccc4[nH]3)cc2s1)c1ccc2ccccc2c1.O=C(Nc1nc2ccc(-c3nc4ccccc4[nH]3)cc2s1)c1ccc2ccccc2c1.O=C(Nc1nc2ccc(-c3nc4ccccc4o3)cc2s1)c1ccc2ccccc2c1.O=C(Nc1nc2ccc(C(=O)N3CCCC3)cc2s1)c1ccc2ccccc2c1.O=C(Nc1nc2ccc(CC(=O)c3ccco3)cc2s1)c1ccc2ccccc2c1.O=C(Nc1nc2ccc(S(=O)(=O)N3CCCCC3)cc2s1)c1ccc2ccccc2c1.O=C(Nc1nc2cccc(C(F)(F)F)c2s1)c1ccc2ccccc2c1
InChIInChI=1S/C26H18N2O2S.2C25H16N4OS.C25H15N3O2S.C24H16N2O3S.C23H21N3O3S2.C23H19N3O2S.C19H11F3N2OS/c29-23(19-7-2-1-3-8-19)14-17-10-13-22-24(15-17)31-26(27-22)28-25(30)21-12-11-18-6-4-5-9-20(18)16-21;2*30-24(18-10-9-15-5-1-2-6-16(15)13-18)29-25-28-21-12-11-17(14-22(21)31-25)23-26-19-7-3-4-8-20(19)27-23;29-23(17-10-9-15-5-1-2-6-16(15)13-17)28-25-27-20-12-11-18(14-22(20)31-25)24-26-19-7-3-4-8-21(19)30-24;27-20(21-6-3-11-29-21)12-15-7-10-19-22(13-15)30-24(25-19)26-23(28)18-9-8-16-4-1-2-5-17(16)14-18;27-22(18-9-8-16-6-2-3-7-17(16)14-18)25-23-24-20-11-10-19(15-21(20)30-23)31(28,29)26-12-4-1-5-13-26;27-21(17-8-7-15-5-1-2-6-16(15)13-17)25-23-24-19-10-9-18(14-20(19)29-23)22(28)26-11-3-4-12-26;20-19(21,22)14-6-3-7-15-16(14)26-18(23-15)24-17(25)13-9-8-11-4-1-2-5-12(11)10-13/h1-13,15-16H,14H2,(H,27,28,30);2*1-14H,(H,26,27)(H,28,29,30);1-14H,(H,27,28,29);1-11,13-14H,12H2,(H,25,26,28);2-3,6-11,14-15H,1,4-5,12-13H2,(H,24,25,27);1-2,5-10,13-14H,3-4,11-12H2,(H,24,25,27);1-10H,(H,23,24,25)
InChIKeyUUSUUXHITMZLLE-UHFFFAOYSA-N
MW3322.89 g/mol
LogP46.38
Rot. Bonds28

About bis(N-[6-(1H-benzimidazol-2-yl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide);N-[6-(1,3-benzoxazol-2-yl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide;N-[6-[2-(furan-2-yl)-2-oxoethyl]-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide;N-(6-phenacyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;N-[6-(pyrrolidine-1-carbonyl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide;N-[7-(trifluoromethyl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide

bis(N-[6-(1H-benzimidazol-2-yl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide);N-[6-(1,3-benzoxazol-2-yl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide;N-[6-[2-(furan-2-yl)-2-oxoethyl]-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide;N-(6-phenacyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;N-[6-(pyrrolidine-1-carbonyl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide;N-[7-(trifluoromethyl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide (PubChem CID 161199063) has the molecular formula C190H132F3N23O15S9 and a molecular weight of 3322.89 g/mol. Its IUPAC name is bis(N-[6-(1H-benzimidazol-2-yl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide);N-[6-(1,3-benzoxazol-2-yl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide;N-[6-[2-(furan-2-yl)-2-oxoethyl]-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide;N-(6-phenacyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;N-[6-(pyrrolidine-1-carbonyl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide;N-[7-(trifluoromethyl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide.

Molecular Properties

Compound Namebis(N-[6-(1H-benzimidazol-2-yl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide);N-[6-(1,3-benzoxazol-2-yl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide;N-[6-[2-(furan-2-yl)-2-oxoethyl]-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide;N-(6-phenacyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;N-[6-(pyrrolidine-1-carbonyl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide;N-[7-(trifluoromethyl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide
PubChem CID161199063
Molecular FormulaC190H132F3N23O15S9
Molecular Weight3322.89 g/mol
Exact Mass3319.77
IUPAC Namebis(N-[6-(1H-benzimidazol-2-yl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide);N-[6-(1,3-benzoxazol-2-yl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide;N-[6-[2-(furan-2-yl)-2-oxoethyl]-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide;N-(6-phenacyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;N-[6-(pyrrolidine-1-carbonyl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide;N-[7-(trifluoromethyl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide
SMILESO=C(Cc1ccc2nc(NC(=O)c3ccc4ccccc4c3)sc2c1)c1ccccc1.O=C(Nc1nc2ccc(-c3nc4ccccc4[nH]3)cc2s1)c1ccc2ccccc2c1.O=C(Nc1nc2ccc(-c3nc4ccccc4[nH]3)cc2s1)c1ccc2ccccc2c1.O=C(Nc1nc2ccc(-c3nc4ccccc4o3)cc2s1)c1ccc2ccccc2c1.O=C(Nc1nc2ccc(C(=O)N3CCCC3)cc2s1)c1ccc2ccccc2c1.O=C(Nc1nc2ccc(CC(=O)c3ccco3)cc2s1)c1ccc2ccccc2c1.O=C(Nc1nc2ccc(S(=O)(=O)N3CCCCC3)cc2s1)c1ccc2ccccc2c1.O=C(Nc1nc2cccc(C(F)(F)F)c2s1)c1ccc2ccccc2c1
InChIInChI=1S/C26H18N2O2S.2C25H16N4OS.C25H15N3O2S.C24H16N2O3S.C23H21N3O3S2.C23H19N3O2S.C19H11F3N2OS/c29-23(19-7-2-1-3-8-19)14-17-10-13-22-24(15-17)31-26(27-22)28-25(30)21-12-11-18-6-4-5-9-20(18)16-21;2*30-24(18-10-9-15-5-1-2-6-16(15)13-18)29-25-28-21-12-11-17(14-22(21)31-25)23-26-19-7-3-4-8-20(19)27-23;29-23(17-10-9-15-5-1-2-6-16(15)13-17)28-25-27-20-12-11-18(14-22(20)31-25)24-26-19-7-3-4-8-21(19)30-24;27-20(21-6-3-11-29-21)12-15-7-10-19-22(13-15)30-24(25-19)26-23(28)18-9-8-16-4-1-2-5-17(16)14-18;27-22(18-9-8-16-6-2-3-7-17(16)14-18)25-23-24-20-11-10-19(15-21(20)30-23)31(28,29)26-12-4-1-5-13-26;27-21(17-8-7-15-5-1-2-6-16(15)13-17)25-23-24-19-10-9-18(14-20(19)29-23)22(28)26-11-3-4-12-26;20-19(21,22)14-6-3-7-15-16(14)26-18(23-15)24-17(25)13-9-8-11-4-1-2-5-12(11)10-13/h1-13,15-16H,14H2,(H,27,28,30);2*1-14H,(H,26,27)(H,28,29,30);1-14H,(H,27,28,29);1-11,13-14H,12H2,(H,25,26,28);2-3,6-11,14-15H,1,4-5,12-13H2,(H,24,25,27);1-2,5-10,13-14H,3-4,11-12H2,(H,24,25,27);1-10H,(H,23,24,25)
InChIKeyUUSUUXHITMZLLE-UHFFFAOYSA-N
XLogP46.38
TPSA524.28 Ų
H-Bond Donors10
H-Bond Acceptors34
Rotatable Bonds28
Heavy Atoms240
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003322.89
LogP ≤ 546.38
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1034

Analyze bis(N-[6-(1H-benzimidazol-2-yl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide);N-[6-(1,3-benzoxazol-2-yl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide;N-[6-[2-(furan-2-yl)-2-oxoethyl]-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide;N-(6-phenacyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;N-[6-(pyrrolidine-1-carbonyl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide;N-[7-(trifluoromethyl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(N-[6-(1H-benzimidazol-2-yl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide);N-[6-(1,3-benzoxazol-2-yl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide;N-[6-[2-(furan-2-yl)-2-oxoethyl]-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide;N-(6-phenacyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;N-[6-(pyrrolidine-1-carbonyl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide;N-[7-(trifluoromethyl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide?
The IUPAC name of bis(N-[6-(1H-benzimidazol-2-yl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide);N-[6-(1,3-benzoxazol-2-yl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide;N-[6-[2-(furan-2-yl)-2-oxoethyl]-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide;N-(6-phenacyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;N-[6-(pyrrolidine-1-carbonyl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide;N-[7-(trifluoromethyl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide (CID 161199063) is bis(N-[6-(1H-benzimidazol-2-yl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide);N-[6-(1,3-benzoxazol-2-yl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide;N-[6-[2-(furan-2-yl)-2-oxoethyl]-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide;N-(6-phenacyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;N-[6-(pyrrolidine-1-carbonyl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide;N-[7-(trifluoromethyl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide.
What is the SMILES notation for bis(N-[6-(1H-benzimidazol-2-yl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide);N-[6-(1,3-benzoxazol-2-yl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide;N-[6-[2-(furan-2-yl)-2-oxoethyl]-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide;N-(6-phenacyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;N-[6-(pyrrolidine-1-carbonyl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide;N-[7-(trifluoromethyl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide?
The canonical SMILES for bis(N-[6-(1H-benzimidazol-2-yl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide);N-[6-(1,3-benzoxazol-2-yl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide;N-[6-[2-(furan-2-yl)-2-oxoethyl]-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide;N-(6-phenacyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;N-[6-(pyrrolidine-1-carbonyl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide;N-[7-(trifluoromethyl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide is O=C(Cc1ccc2nc(NC(=O)c3ccc4ccccc4c3)sc2c1)c1ccccc1.O=C(Nc1nc2ccc(-c3nc4ccccc4[nH]3)cc2s1)c1ccc2ccccc2c1.O=C(Nc1nc2ccc(-c3nc4ccccc4[nH]3)cc2s1)c1ccc2ccccc2c1.O=C(Nc1nc2ccc(-c3nc4ccccc4o3)cc2s1)c1ccc2ccccc2c1.O=C(Nc1nc2ccc(C(=O)N3CCCC3)cc2s1)c1ccc2ccccc2c1.O=C(Nc1nc2ccc(CC(=O)c3ccco3)cc2s1)c1ccc2ccccc2c1.O=C(Nc1nc2ccc(S(=O)(=O)N3CCCCC3)cc2s1)c1ccc2ccccc2c1.O=C(Nc1nc2cccc(C(F)(F)F)c2s1)c1ccc2ccccc2c1.
What is the InChIKey of bis(N-[6-(1H-benzimidazol-2-yl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide);N-[6-(1,3-benzoxazol-2-yl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide;N-[6-[2-(furan-2-yl)-2-oxoethyl]-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide;N-(6-phenacyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;N-[6-(pyrrolidine-1-carbonyl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide;N-[7-(trifluoromethyl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide?
The InChIKey is UUSUUXHITMZLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N2O2S.2C25H16N4OS.C25H15N3O2S.C24H16N2O3S.C23H21N3O3S2.C23H19N3O2S.C19H11F3N2OS/c29-23(19-7-2-1-3-8-19)14-17-10-13-22-24(15-17)31-26(27-22)28-25(30)21-12-11-18-6-4-5-9-20(18)16-21;2*30-24(18-10-9-15-5-1-2-6-16(15)13-18)29-25-28-21-12-11-17(14-22(21)31-25)23-26-19-7-3-4-8-20(19)27-23;29-23(17-10-9-15-5-1-2-6-16(15)13-17)28-25-27-20-12-11-18(14-22(20)31-25)24-26-19-7-3-4-8-21(19)30-24;27-20(21-6-3-11-29-21)12-15-7-10-19-22(13-15)30-24(25-19)26-23(28)18-9-8-16-4-1-2-5-17(16)14-18;27-22(18-9-8-16-6-2-3-7-17(16)14-18)25-23-24-20-11-10-19(15-21(20)30-23)31(28,29)26-12-4-1-5-13-26;27-21(17-8-7-15-5-1-2-6-16(15)13-17)25-23-24-19-10-9-18(14-20(19)29-23)22(28)26-11-3-4-12-26;20-19(21,22)14-6-3-7-15-16(14)26-18(23-15)24-17(25)13-9-8-11-4-1-2-5-12(11)10-13/h1-13,15-16H,14H2,(H,27,28,30);2*1-14H,(H,26,27)(H,28,29,30);1-14H,(H,27,28,29);1-11,13-14H,12H2,(H,25,26,28);2-3,6-11,14-15H,1,4-5,12-13H2,(H,24,25,27);1-2,5-10,13-14H,3-4,11-12H2,(H,24,25,27);1-10H,(H,23,24,25).
What are the key properties of bis(N-[6-(1H-benzimidazol-2-yl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide);N-[6-(1,3-benzoxazol-2-yl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide;N-[6-[2-(furan-2-yl)-2-oxoethyl]-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide;N-(6-phenacyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;N-[6-(pyrrolidine-1-carbonyl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide;N-[7-(trifluoromethyl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide?
bis(N-[6-(1H-benzimidazol-2-yl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide);N-[6-(1,3-benzoxazol-2-yl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide;N-[6-[2-(furan-2-yl)-2-oxoethyl]-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide;N-(6-phenacyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;N-[6-(pyrrolidine-1-carbonyl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide;N-[7-(trifluoromethyl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide has a molecular weight of 3322.89 g/mol, XLogP of 46.38, 28 rotatable bonds, 10 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-[6-(1H-benzimidazol-2-yl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide);N-[6-(1,3-benzoxazol-2-yl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide;N-[6-[2-(furan-2-yl)-2-oxoethyl]-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide;N-(6-phenacyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;N-[6-(pyrrolidine-1-carbonyl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide;N-[7-(trifluoromethyl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide is sourced from PubChem (CID 161199063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).