7,8-dimethyl-N-(5-methylsulfonyl-2-propan-2-yloxyphenyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;8-ethyl-7-methyl-N-(5-methylsulfonyl-2-propan-2-yloxyphenyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;6-methyl-N-[2-(2-methylpropyl)-5-methylsulfonylphenyl]imidazo[4,5-e][1,3]benzothiazol-2-amine;7-methyl-N-(5-methylsulfonyl-2-propan-2-yloxyphenyl)-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-[2-(2-methylpropyl)-5-methylsulfonylphenyl]-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine

C103H110F6N20O13S10 — CID 159503801

About 7,8-dimethyl-N-(5-methylsulfonyl-2-propan-2-yloxyphenyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;8-ethyl-7-methyl-N-(5-methylsulfonyl-2-propan-2-yloxyphenyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;6-methyl-N-[2-(2-methylpropyl)-5-methylsulfonylphenyl]imidazo[4,5-e][1,3]benzothiazol-2-amine;7-methyl-N-(5-methylsulfonyl-2-propan-2-yloxyphenyl)-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-[2-(2-methylpropyl)-5-methylsulfonylphenyl]-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine

7,8-dimethyl-N-(5-methylsulfonyl-2-propan-2-yloxyphenyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;8-ethyl-7-methyl-N-(5-methylsulfonyl-2-propan-2-yloxyphenyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;6-methyl-N-[2-(2-methylpropyl)-5-methylsulfonylphenyl]imidazo[4,5-e][1,3]benzothiazol-2-amine;7-methyl-N-(5-methylsulfonyl-2-propan-2-yloxyphenyl)-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-[2-(2-methylpropyl)-5-methylsulfonylphenyl]-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine (PubChem CID 159503801) has the molecular formula C103H110F6N20O13S10 and a molecular weight of 2270.80 g/mol. Its IUPAC name is 7,8-dimethyl-N-(5-methylsulfonyl-2-propan-2-yloxyphenyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;8-ethyl-7-methyl-N-(5-methylsulfonyl-2-propan-2-yloxyphenyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;6-methyl-N-[2-(2-methylpropyl)-5-methylsulfonylphenyl]imidazo[4,5-e][1,3]benzothiazol-2-amine;7-methyl-N-(5-methylsulfonyl-2-propan-2-yloxyphenyl)-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-[2-(2-methylpropyl)-5-methylsulfonylphenyl]-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine.

Molecular Properties

• Compound Name: 7,8-dimethyl-N-(5-methylsulfonyl-2-propan-2-yloxyphenyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;8-ethyl-7-methyl-N-(5-methylsulfonyl-2-propan-2-yloxyphenyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;6-methyl-N-[2-(2-methylpropyl)-5-methylsulfonylphenyl]imidazo[4,5-e][1,3]benzothiazol-2-amine;7-methyl-N-(5-methylsulfonyl-2-propan-2-yloxyphenyl)-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-[2-(2-methylpropyl)-5-methylsulfonylphenyl]-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine
• PubChem CID: 159503801
• Molecular Formula: C103H110F6N20O13S10
• Molecular Weight: 2270.80 g/mol
• Exact Mass: 2268.57
• IUPAC Name: 7,8-dimethyl-N-(5-methylsulfonyl-2-propan-2-yloxyphenyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;8-ethyl-7-methyl-N-(5-methylsulfonyl-2-propan-2-yloxyphenyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;6-methyl-N-[2-(2-methylpropyl)-5-methylsulfonylphenyl]imidazo[4,5-e][1,3]benzothiazol-2-amine;7-methyl-N-(5-methylsulfonyl-2-propan-2-yloxyphenyl)-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-[2-(2-methylpropyl)-5-methylsulfonylphenyl]-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine
• SMILES: CC(C)Cc1ccc(S(C)(=O)=O)cc1Nc1nc2c(ccc3c2ncn3C)s1.CC(C)Cc1ccc(S(C)(=O)=O)cc1Nc1nc2c(ccc3ncn(CC(F)(F)F)c32)s1.CCn1c(C)nc2ccc3sc(Nc4cc(S(C)(=O)=O)ccc4OC(C)C)nc3c21.Cc1nc2ccc3sc(Nc4cc(S(C)(=O)=O)ccc4OC(C)C)nc3c2n1C.Cc1nc2ccc3sc(Nc4cc(S(C)(=O)=O)ccc4OC(C)C)nc3c2n1CC(F)(F)F
• InChI: InChI=1S/C21H21F3N4O3S2.C21H21F3N4O2S2.C21H24N4O3S2.C20H22N4O3S2.C20H22N4O2S2/c1-11(2)31-16-7-5-13(33(4,29)30)9-15(16)26-20-27-18-17(32-20)8-6-14-19(18)28(12(3)25-14)10-21(22,23)24;1-12(2)8-13-4-5-14(32(3,29)30)9-16(13)26-20-27-18-17(31-20)7-6-15-19(18)28(11-25-15)10-21(22,23)24;1-6-25-13(4)22-15-8-10-18-19(20(15)25)24-21(29-18)23-16-11-14(30(5,26)27)7-9-17(16)28-12(2)3;1-11(2)27-16-8-6-13(29(5,25)26)10-15(16)22-20-23-18-17(28-20)9-7-14-19(18)24(4)12(3)21-14;1-12(2)9-13-5-6-14(28(4,25)26)10-15(13)22-20-23-19-17(27-20)8-7-16-18(19)21-11-24(16)3/h5-9,11H,10H2,1-4H3,(H,26,27);4-7,9,11-12H,8,10H2,1-3H3,(H,26,27);7-12H,6H2,1-5H3,(H,23,24);6-11H,1-5H3,(H,22,23);5-8,10-12H,9H2,1-4H3,(H,22,23)
• InChIKey: LZSNMFXVJNATPK-UHFFFAOYSA-N
• XLogP: 24.87
• TPSA: 412.09 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 38
• Rotatable Bonds: 28
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2270.80
LogP ≤ 5	24.87
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-N-(5-methylsulfonyl-2-propan-2-yloxyphenyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;8-ethyl-7-methyl-N-(5-methylsulfonyl-2-propan-2-yloxyphenyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;6-methyl-N-[2-(2-methylpropyl)-5-methylsulfonylphenyl]imidazo[4,5-e][1,3]benzothiazol-2-amine;7-methyl-N-(5-methylsulfonyl-2-propan-2-yloxyphenyl)-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-[2-(2-methylpropyl)-5-methylsulfonylphenyl]-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine?

The IUPAC name of 7,8-dimethyl-N-(5-methylsulfonyl-2-propan-2-yloxyphenyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;8-ethyl-7-methyl-N-(5-methylsulfonyl-2-propan-2-yloxyphenyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;6-methyl-N-[2-(2-methylpropyl)-5-methylsulfonylphenyl]imidazo[4,5-e][1,3]benzothiazol-2-amine;7-methyl-N-(5-methylsulfonyl-2-propan-2-yloxyphenyl)-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-[2-(2-methylpropyl)-5-methylsulfonylphenyl]-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine (CID 159503801) is 7,8-dimethyl-N-(5-methylsulfonyl-2-propan-2-yloxyphenyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;8-ethyl-7-methyl-N-(5-methylsulfonyl-2-propan-2-yloxyphenyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;6-methyl-N-[2-(2-methylpropyl)-5-methylsulfonylphenyl]imidazo[4,5-e][1,3]benzothiazol-2-amine;7-methyl-N-(5-methylsulfonyl-2-propan-2-yloxyphenyl)-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-[2-(2-methylpropyl)-5-methylsulfonylphenyl]-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine.

What is the SMILES notation for 7,8-dimethyl-N-(5-methylsulfonyl-2-propan-2-yloxyphenyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;8-ethyl-7-methyl-N-(5-methylsulfonyl-2-propan-2-yloxyphenyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;6-methyl-N-[2-(2-methylpropyl)-5-methylsulfonylphenyl]imidazo[4,5-e][1,3]benzothiazol-2-amine;7-methyl-N-(5-methylsulfonyl-2-propan-2-yloxyphenyl)-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-[2-(2-methylpropyl)-5-methylsulfonylphenyl]-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine?

The canonical SMILES for 7,8-dimethyl-N-(5-methylsulfonyl-2-propan-2-yloxyphenyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;8-ethyl-7-methyl-N-(5-methylsulfonyl-2-propan-2-yloxyphenyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;6-methyl-N-[2-(2-methylpropyl)-5-methylsulfonylphenyl]imidazo[4,5-e][1,3]benzothiazol-2-amine;7-methyl-N-(5-methylsulfonyl-2-propan-2-yloxyphenyl)-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-[2-(2-methylpropyl)-5-methylsulfonylphenyl]-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine is CC(C)Cc1ccc(S(C)(=O)=O)cc1Nc1nc2c(ccc3c2ncn3C)s1.CC(C)Cc1ccc(S(C)(=O)=O)cc1Nc1nc2c(ccc3ncn(CC(F)(F)F)c32)s1.CCn1c(C)nc2ccc3sc(Nc4cc(S(C)(=O)=O)ccc4OC(C)C)nc3c21.Cc1nc2ccc3sc(Nc4cc(S(C)(=O)=O)ccc4OC(C)C)nc3c2n1C.Cc1nc2ccc3sc(Nc4cc(S(C)(=O)=O)ccc4OC(C)C)nc3c2n1CC(F)(F)F.

What is the InChIKey of 7,8-dimethyl-N-(5-methylsulfonyl-2-propan-2-yloxyphenyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;8-ethyl-7-methyl-N-(5-methylsulfonyl-2-propan-2-yloxyphenyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;6-methyl-N-[2-(2-methylpropyl)-5-methylsulfonylphenyl]imidazo[4,5-e][1,3]benzothiazol-2-amine;7-methyl-N-(5-methylsulfonyl-2-propan-2-yloxyphenyl)-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-[2-(2-methylpropyl)-5-methylsulfonylphenyl]-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine?

The InChIKey is LZSNMFXVJNATPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N4O3S2.C21H21F3N4O2S2.C21H24N4O3S2.C20H22N4O3S2.C20H22N4O2S2/c1-11(2)31-16-7-5-13(33(4,29)30)9-15(16)26-20-27-18-17(32-20)8-6-14-19(18)28(12(3)25-14)10-21(22,23)24;1-12(2)8-13-4-5-14(32(3,29)30)9-16(13)26-20-27-18-17(31-20)7-6-15-19(18)28(11-25-15)10-21(22,23)24;1-6-25-13(4)22-15-8-10-18-19(20(15)25)24-21(29-18)23-16-11-14(30(5,26)27)7-9-17(16)28-12(2)3;1-11(2)27-16-8-6-13(29(5,25)26)10-15(16)22-20-23-18-17(28-20)9-7-14-19(18)24(4)12(3)21-14;1-12(2)9-13-5-6-14(28(4,25)26)10-15(13)22-20-23-19-17(27-20)8-7-16-18(19)21-11-24(16)3/h5-9,11H,10H2,1-4H3,(H,26,27);4-7,9,11-12H,8,10H2,1-3H3,(H,26,27);7-12H,6H2,1-5H3,(H,23,24);6-11H,1-5H3,(H,22,23);5-8,10-12H,9H2,1-4H3,(H,22,23).

What are the key properties of 7,8-dimethyl-N-(5-methylsulfonyl-2-propan-2-yloxyphenyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;8-ethyl-7-methyl-N-(5-methylsulfonyl-2-propan-2-yloxyphenyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;6-methyl-N-[2-(2-methylpropyl)-5-methylsulfonylphenyl]imidazo[4,5-e][1,3]benzothiazol-2-amine;7-methyl-N-(5-methylsulfonyl-2-propan-2-yloxyphenyl)-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-[2-(2-methylpropyl)-5-methylsulfonylphenyl]-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine?

7,8-dimethyl-N-(5-methylsulfonyl-2-propan-2-yloxyphenyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;8-ethyl-7-methyl-N-(5-methylsulfonyl-2-propan-2-yloxyphenyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;6-methyl-N-[2-(2-methylpropyl)-5-methylsulfonylphenyl]imidazo[4,5-e][1,3]benzothiazol-2-amine;7-methyl-N-(5-methylsulfonyl-2-propan-2-yloxyphenyl)-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-[2-(2-methylpropyl)-5-methylsulfonylphenyl]-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine has a molecular weight of 2270.80 g/mol, XLogP of 24.87, 28 rotatable bonds, 5 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 7,8-dimethyl-N-(5-methylsulfonyl-2-propan-2-yloxyphenyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;8-ethyl-7-methyl-N-(5-methylsulfonyl-2-propan-2-yloxyphenyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;6-methyl-N-[2-(2-methylpropyl)-5-methylsulfonylphenyl]imidazo[4,5-e][1,3]benzothiazol-2-amine;7-methyl-N-(5-methylsulfonyl-2-propan-2-yloxyphenyl)-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-[2-(2-methylpropyl)-5-methylsulfonylphenyl]-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine is sourced from PubChem (CID 159503801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).