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-[(2-methylpropan-2-yl)oxy]-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide;N-[7-(trifluoromethyl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide

C140H94F3N17O10S6 — CID 158153032

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-[(2-methylpropan-2-yl)oxy]-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide;N-[7-(trifluoromethyl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide
SMILESCC(C)(C)Oc1ccc2nc(NC(=O)c3ccc4ccccc4c3)sc2c1.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(CC(=O)c3ccco3)cc2s1)c1ccc2ccccc2c1.O=C(Nc1nc2cccc(C(F)(F)F)c2s1)c1ccc2ccccc2c1
InChIInChI=1S/2C25H16N4OS.C25H15N3O2S.C24H16N2O3S.C22H20N2O2S.C19H11F3N2OS/c2*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;1-22(2,3)26-17-10-11-18-19(13-17)27-21(23-18)24-20(25)16-9-8-14-6-4-5-7-15(14)12-16;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/h2*1-14H,(H,26,27)(H,28,29,30);1-14H,(H,27,28,29);1-11,13-14H,12H2,(H,25,26,28);4-13H,1-3H3,(H,23,24,25);1-10H,(H,23,24,25)
InChIKeyFVISUWFMJHIUMN-UHFFFAOYSA-N
MW2423.80 g/mol
LogP36.32
Rot. Bonds19

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-[(2-methylpropan-2-yl)oxy]-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-[(2-methylpropan-2-yl)oxy]-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide;N-[7-(trifluoromethyl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide (PubChem CID 158153032) has the molecular formula C140H94F3N17O10S6 and a molecular weight of 2423.80 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-[(2-methylpropan-2-yl)oxy]-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-[(2-methylpropan-2-yl)oxy]-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide;N-[7-(trifluoromethyl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide
PubChem CID158153032
Molecular FormulaC140H94F3N17O10S6
Molecular Weight2423.80 g/mol
Exact Mass2421.56
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-[(2-methylpropan-2-yl)oxy]-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide;N-[7-(trifluoromethyl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide
SMILESCC(C)(C)Oc1ccc2nc(NC(=O)c3ccc4ccccc4c3)sc2c1.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(CC(=O)c3ccco3)cc2s1)c1ccc2ccccc2c1.O=C(Nc1nc2cccc(C(F)(F)F)c2s1)c1ccc2ccccc2c1
InChIInChI=1S/2C25H16N4OS.C25H15N3O2S.C24H16N2O3S.C22H20N2O2S.C19H11F3N2OS/c2*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;1-22(2,3)26-17-10-11-18-19(13-17)27-21(23-18)24-20(25)16-9-8-14-6-4-5-7-15(14)12-16;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/h2*1-14H,(H,26,27)(H,28,29,30);1-14H,(H,27,28,29);1-11,13-14H,12H2,(H,25,26,28);4-13H,1-3H3,(H,23,24,25);1-10H,(H,23,24,25)
InChIKeyFVISUWFMJHIUMN-UHFFFAOYSA-N
XLogP36.32
TPSA374.77 Ų
H-Bond Donors8
H-Bond Acceptors25
Rotatable Bonds19
Heavy Atoms176
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002423.80
LogP ≤ 536.32
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1025

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-[(2-methylpropan-2-yl)oxy]-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide;N-[7-(trifluoromethyl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-[(2-methylpropan-2-yl)oxy]-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-[(2-methylpropan-2-yl)oxy]-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide;N-[7-(trifluoromethyl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide (CID 158153032) 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-[(2-methylpropan-2-yl)oxy]-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-[(2-methylpropan-2-yl)oxy]-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-[(2-methylpropan-2-yl)oxy]-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide;N-[7-(trifluoromethyl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide is CC(C)(C)Oc1ccc2nc(NC(=O)c3ccc4ccccc4c3)sc2c1.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(CC(=O)c3ccco3)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-[(2-methylpropan-2-yl)oxy]-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide;N-[7-(trifluoromethyl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide?
The InChIKey is FVISUWFMJHIUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H16N4OS.C25H15N3O2S.C24H16N2O3S.C22H20N2O2S.C19H11F3N2OS/c2*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;1-22(2,3)26-17-10-11-18-19(13-17)27-21(23-18)24-20(25)16-9-8-14-6-4-5-7-15(14)12-16;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/h2*1-14H,(H,26,27)(H,28,29,30);1-14H,(H,27,28,29);1-11,13-14H,12H2,(H,25,26,28);4-13H,1-3H3,(H,23,24,25);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-[(2-methylpropan-2-yl)oxy]-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-[(2-methylpropan-2-yl)oxy]-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide;N-[7-(trifluoromethyl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide has a molecular weight of 2423.80 g/mol, XLogP of 36.32, 19 rotatable bonds, 8 hydrogen bond donors, and 25 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-[(2-methylpropan-2-yl)oxy]-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide;N-[7-(trifluoromethyl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide is sourced from PubChem (CID 158153032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).