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-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;N-[7-(trifluoromethyl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide

C88H68F3N9O9S5 — CID 159788407

IUPACN-[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-(6-piperidin-1-ylsulfonyl-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(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/C24H16N2O3S.C23H21N3O3S2.C22H20N2O2S.C19H11F3N2OS/c27-20(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;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/h1-11,13-14H,12H2,(H,25,26,28);2-3,6-11,14-15H,1,4-5,12-13H2,(H,24,25,27);4-13H,1-3H3,(H,23,24,25);1-10H,(H,23,24,25)
InChIKeyNIGCHGNXCCFEOI-UHFFFAOYSA-N
MW1612.89 g/mol
LogP22.20
Rot. Bonds14

About 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-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;N-[7-(trifluoromethyl)-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-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;N-[7-(trifluoromethyl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide (PubChem CID 159788407) has the molecular formula C88H68F3N9O9S5 and a molecular weight of 1612.89 g/mol. Its IUPAC name is 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-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;N-[7-(trifluoromethyl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[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-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;N-[7-(trifluoromethyl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide
PubChem CID159788407
Molecular FormulaC88H68F3N9O9S5
Molecular Weight1612.89 g/mol
Exact Mass1611.37
IUPAC NameN-[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-(6-piperidin-1-ylsulfonyl-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(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/C24H16N2O3S.C23H21N3O3S2.C22H20N2O2S.C19H11F3N2OS/c27-20(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;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/h1-11,13-14H,12H2,(H,25,26,28);2-3,6-11,14-15H,1,4-5,12-13H2,(H,24,25,27);4-13H,1-3H3,(H,23,24,25);1-10H,(H,23,24,25)
InChIKeyNIGCHGNXCCFEOI-UHFFFAOYSA-N
XLogP22.20
TPSA244.78 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds14
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001612.89
LogP ≤ 522.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Analyze 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-(6-piperidin-1-ylsulfonyl-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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Related Compounds

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;methane;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 157602488
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

Frequently Asked Questions

What is the IUPAC name of 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-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;N-[7-(trifluoromethyl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide?
The IUPAC name of 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-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;N-[7-(trifluoromethyl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide (CID 159788407) is 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-(6-piperidin-1-ylsulfonyl-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 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-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;N-[7-(trifluoromethyl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide?
The canonical SMILES for 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-(6-piperidin-1-ylsulfonyl-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(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 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-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;N-[7-(trifluoromethyl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide?
The InChIKey is NIGCHGNXCCFEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2O3S.C23H21N3O3S2.C22H20N2O2S.C19H11F3N2OS/c27-20(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;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/h1-11,13-14H,12H2,(H,25,26,28);2-3,6-11,14-15H,1,4-5,12-13H2,(H,24,25,27);4-13H,1-3H3,(H,23,24,25);1-10H,(H,23,24,25).
What are the key properties of 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-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;N-[7-(trifluoromethyl)-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-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;N-[7-(trifluoromethyl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide has a molecular weight of 1612.89 g/mol, XLogP of 22.20, 14 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 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-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;N-[7-(trifluoromethyl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide is sourced from PubChem (CID 159788407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).