3-[(6,7-dimethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;3-(6H-imidazo[4,5-e][1,3]benzothiazol-2-ylamino)-4-(2-methylpropyl)benzamide;3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzenesulfonamide;3-[[7-(4-methylpiperazin-1-yl)-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl]amino]-4-(2-methylpropyl)benzamide;4-(2-methylpropyl)-3-[(6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide

C102H111N27O7S6 — CID 158977862

About 3-[(6,7-dimethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;3-(6H-imidazo[4,5-e][1,3]benzothiazol-2-ylamino)-4-(2-methylpropyl)benzamide;3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzenesulfonamide;3-[[7-(4-methylpiperazin-1-yl)-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl]amino]-4-(2-methylpropyl)benzamide;4-(2-methylpropyl)-3-[(6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide

3-[(6,7-dimethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;3-(6H-imidazo[4,5-e][1,3]benzothiazol-2-ylamino)-4-(2-methylpropyl)benzamide;3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzenesulfonamide;3-[[7-(4-methylpiperazin-1-yl)-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl]amino]-4-(2-methylpropyl)benzamide;4-(2-methylpropyl)-3-[(6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide (PubChem CID 158977862) has the molecular formula C102H111N27O7S6 and a molecular weight of 2019.59 g/mol. Its IUPAC name is 3-[(6,7-dimethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;3-(6H-imidazo[4,5-e][1,3]benzothiazol-2-ylamino)-4-(2-methylpropyl)benzamide;3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzenesulfonamide;3-[[7-(4-methylpiperazin-1-yl)-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl]amino]-4-(2-methylpropyl)benzamide;4-(2-methylpropyl)-3-[(6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide.

Molecular Properties

• Compound Name: 3-[(6,7-dimethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;3-(6H-imidazo[4,5-e][1,3]benzothiazol-2-ylamino)-4-(2-methylpropyl)benzamide;3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzenesulfonamide;3-[[7-(4-methylpiperazin-1-yl)-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl]amino]-4-(2-methylpropyl)benzamide;4-(2-methylpropyl)-3-[(6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide
• PubChem CID: 158977862
• Molecular Formula: C102H111N27O7S6
• Molecular Weight: 2019.59 g/mol
• Exact Mass: 2017.75
• IUPAC Name: 3-[(6,7-dimethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;3-(6H-imidazo[4,5-e][1,3]benzothiazol-2-ylamino)-4-(2-methylpropyl)benzamide;3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzenesulfonamide;3-[[7-(4-methylpiperazin-1-yl)-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl]amino]-4-(2-methylpropyl)benzamide;4-(2-methylpropyl)-3-[(6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide
• SMILES: CC(C)Cc1ccc(C(N)=O)cc1Nc1nc2c(ccc3[nH]c(N4CCN(C)CC4)nc32)s1.CC(C)Cc1ccc(C(N)=O)cc1Nc1nc2c(ccc3[nH]cnc32)s1.CC(C)Cc1ccc(C(N)=O)cc1Nc1nc2c(ccc3c2cnn3C)s1.CC(C)Cc1ccc(S(N)(=O)=O)cc1Nc1nc2c(ccc3c2ncn3C)s1.Cc1nc2c3nc(Nc4cc(C(N)=O)ccc4OC(C)C)sc3ccc2n1C
• InChI: InChI=1S/C24H29N7OS.C20H21N5O2S.C20H21N5OS.C19H21N5O2S2.C19H19N5OS/c1-14(2)12-15-4-5-16(22(25)32)13-18(15)27-24-29-21-19(33-24)7-6-17-20(21)28-23(26-17)31-10-8-30(3)9-11-31;1-10(2)27-15-7-5-12(19(21)26)9-13(15)23-20-24-18-16(28-20)8-6-14-17(18)22-11(3)25(14)4;1-11(2)8-12-4-5-13(19(21)26)9-15(12)23-20-24-18-14-10-22-25(3)16(14)6-7-17(18)27-20;1-11(2)8-12-4-5-13(28(20,25)26)9-14(12)22-19-23-18-16(27-19)7-6-15-17(18)21-10-24(15)3;1-10(2)7-11-3-4-12(18(20)25)8-14(11)23-19-24-17-15(26-19)6-5-13-16(17)22-9-21-13/h4-7,13-14H,8-12H2,1-3H3,(H2,25,32)(H,26,28)(H,27,29);5-10H,1-4H3,(H2,21,26)(H,23,24);4-7,9-11H,8H2,1-3H3,(H2,21,26)(H,23,24);4-7,9-11H,8H2,1-3H3,(H,22,23)(H2,20,25,26);3-6,8-10H,7H2,1-2H3,(H2,20,25)(H,21,22)(H,23,24)
• InChIKey: JOPRVQSLMUBYEG-UHFFFAOYSA-N
• XLogP: 20.30
• TPSA: 483.65 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 32
• Rotatable Bonds: 26
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2019.59
LogP ≤ 5	20.30
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 3-[(6,7-dimethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;3-(6H-imidazo[4,5-e][1,3]benzothiazol-2-ylamino)-4-(2-methylpropyl)benzamide;3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzenesulfonamide;3-[[7-(4-methylpiperazin-1-yl)-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl]amino]-4-(2-methylpropyl)benzamide;4-(2-methylpropyl)-3-[(6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide?

The IUPAC name of 3-[(6,7-dimethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;3-(6H-imidazo[4,5-e][1,3]benzothiazol-2-ylamino)-4-(2-methylpropyl)benzamide;3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzenesulfonamide;3-[[7-(4-methylpiperazin-1-yl)-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl]amino]-4-(2-methylpropyl)benzamide;4-(2-methylpropyl)-3-[(6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide (CID 158977862) is 3-[(6,7-dimethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;3-(6H-imidazo[4,5-e][1,3]benzothiazol-2-ylamino)-4-(2-methylpropyl)benzamide;3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzenesulfonamide;3-[[7-(4-methylpiperazin-1-yl)-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl]amino]-4-(2-methylpropyl)benzamide;4-(2-methylpropyl)-3-[(6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide.

What is the SMILES notation for 3-[(6,7-dimethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;3-(6H-imidazo[4,5-e][1,3]benzothiazol-2-ylamino)-4-(2-methylpropyl)benzamide;3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzenesulfonamide;3-[[7-(4-methylpiperazin-1-yl)-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl]amino]-4-(2-methylpropyl)benzamide;4-(2-methylpropyl)-3-[(6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide?

The canonical SMILES for 3-[(6,7-dimethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;3-(6H-imidazo[4,5-e][1,3]benzothiazol-2-ylamino)-4-(2-methylpropyl)benzamide;3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzenesulfonamide;3-[[7-(4-methylpiperazin-1-yl)-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl]amino]-4-(2-methylpropyl)benzamide;4-(2-methylpropyl)-3-[(6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide is CC(C)Cc1ccc(C(N)=O)cc1Nc1nc2c(ccc3[nH]c(N4CCN(C)CC4)nc32)s1.CC(C)Cc1ccc(C(N)=O)cc1Nc1nc2c(ccc3[nH]cnc32)s1.CC(C)Cc1ccc(C(N)=O)cc1Nc1nc2c(ccc3c2cnn3C)s1.CC(C)Cc1ccc(S(N)(=O)=O)cc1Nc1nc2c(ccc3c2ncn3C)s1.Cc1nc2c3nc(Nc4cc(C(N)=O)ccc4OC(C)C)sc3ccc2n1C.

What is the InChIKey of 3-[(6,7-dimethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;3-(6H-imidazo[4,5-e][1,3]benzothiazol-2-ylamino)-4-(2-methylpropyl)benzamide;3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzenesulfonamide;3-[[7-(4-methylpiperazin-1-yl)-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl]amino]-4-(2-methylpropyl)benzamide;4-(2-methylpropyl)-3-[(6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide?

The InChIKey is JOPRVQSLMUBYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7OS.C20H21N5O2S.C20H21N5OS.C19H21N5O2S2.C19H19N5OS/c1-14(2)12-15-4-5-16(22(25)32)13-18(15)27-24-29-21-19(33-24)7-6-17-20(21)28-23(26-17)31-10-8-30(3)9-11-31;1-10(2)27-15-7-5-12(19(21)26)9-13(15)23-20-24-18-16(28-20)8-6-14-17(18)22-11(3)25(14)4;1-11(2)8-12-4-5-13(19(21)26)9-15(12)23-20-24-18-14-10-22-25(3)16(14)6-7-17(18)27-20;1-11(2)8-12-4-5-13(28(20,25)26)9-14(12)22-19-23-18-16(27-19)7-6-15-17(18)21-10-24(15)3;1-10(2)7-11-3-4-12(18(20)25)8-14(11)23-19-24-17-15(26-19)6-5-13-16(17)22-9-21-13/h4-7,13-14H,8-12H2,1-3H3,(H2,25,32)(H,26,28)(H,27,29);5-10H,1-4H3,(H2,21,26)(H,23,24);4-7,9-11H,8H2,1-3H3,(H2,21,26)(H,23,24);4-7,9-11H,8H2,1-3H3,(H,22,23)(H2,20,25,26);3-6,8-10H,7H2,1-2H3,(H2,20,25)(H,21,22)(H,23,24).

What are the key properties of 3-[(6,7-dimethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;3-(6H-imidazo[4,5-e][1,3]benzothiazol-2-ylamino)-4-(2-methylpropyl)benzamide;3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzenesulfonamide;3-[[7-(4-methylpiperazin-1-yl)-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl]amino]-4-(2-methylpropyl)benzamide;4-(2-methylpropyl)-3-[(6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide?

3-[(6,7-dimethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;3-(6H-imidazo[4,5-e][1,3]benzothiazol-2-ylamino)-4-(2-methylpropyl)benzamide;3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzenesulfonamide;3-[[7-(4-methylpiperazin-1-yl)-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl]amino]-4-(2-methylpropyl)benzamide;4-(2-methylpropyl)-3-[(6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide has a molecular weight of 2019.59 g/mol, XLogP of 20.30, 26 rotatable bonds, 12 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(6,7-dimethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;3-(6H-imidazo[4,5-e][1,3]benzothiazol-2-ylamino)-4-(2-methylpropyl)benzamide;3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzenesulfonamide;3-[[7-(4-methylpiperazin-1-yl)-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl]amino]-4-(2-methylpropyl)benzamide;4-(2-methylpropyl)-3-[(6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide is sourced from PubChem (CID 158977862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).