3-[(7-chloro-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzamide;3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzamide;3-[[7-(4-methylpiperazine-1-carbonyl)-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl]amino]-4-(2-methylpropyl)benzamide;4-(2-methylpropyl)-3-[(7-oxo-6,8-dihydroimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;3-[(2-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-yl)amino]-4-propan-2-yloxybenzoic acid

C102H104ClN25O9S6 — CID 160537651

About 3-[(7-chloro-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzamide;3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzamide;3-[[7-(4-methylpiperazine-1-carbonyl)-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl]amino]-4-(2-methylpropyl)benzamide;4-(2-methylpropyl)-3-[(7-oxo-6,8-dihydroimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;3-[(2-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-yl)amino]-4-propan-2-yloxybenzoic acid

3-[(7-chloro-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzamide;3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzamide;3-[[7-(4-methylpiperazine-1-carbonyl)-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl]amino]-4-(2-methylpropyl)benzamide;4-(2-methylpropyl)-3-[(7-oxo-6,8-dihydroimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;3-[(2-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-yl)amino]-4-propan-2-yloxybenzoic acid (PubChem CID 160537651) has the molecular formula C102H104ClN25O9S6 and a molecular weight of 2051.97 g/mol. Its IUPAC name is 3-[(7-chloro-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzamide;3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzamide;3-[[7-(4-methylpiperazine-1-carbonyl)-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl]amino]-4-(2-methylpropyl)benzamide;4-(2-methylpropyl)-3-[(7-oxo-6,8-dihydroimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;3-[(2-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-yl)amino]-4-propan-2-yloxybenzoic acid.

Molecular Properties

• Compound Name: 3-[(7-chloro-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzamide;3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzamide;3-[[7-(4-methylpiperazine-1-carbonyl)-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl]amino]-4-(2-methylpropyl)benzamide;4-(2-methylpropyl)-3-[(7-oxo-6,8-dihydroimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;3-[(2-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-yl)amino]-4-propan-2-yloxybenzoic acid
• PubChem CID: 160537651
• Molecular Formula: C102H104ClN25O9S6
• Molecular Weight: 2051.97 g/mol
• Exact Mass: 2049.65
• IUPAC Name: 3-[(7-chloro-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzamide;3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzamide;3-[[7-(4-methylpiperazine-1-carbonyl)-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl]amino]-4-(2-methylpropyl)benzamide;4-(2-methylpropyl)-3-[(7-oxo-6,8-dihydroimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;3-[(2-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-yl)amino]-4-propan-2-yloxybenzoic acid
• SMILES: CC(C)Cc1ccc(C(N)=O)cc1Nc1nc2c(ccc3[nH]c(=O)[nH]c32)s1.CC(C)Cc1ccc(C(N)=O)cc1Nc1nc2c(ccc3[nH]c(C(=O)N4CCN(C)CC4)nc32)s1.CC(C)Cc1ccc(C(N)=O)cc1Nc1nc2c(ccc3[nH]c(Cl)nc32)s1.CC(C)Cc1ccc(C(N)=O)cc1Nc1nc2c(ccc3c2ncn3C)s1.Cc1nc2ccc3sc(Nc4cc(C(=O)O)ccc4OC(C)C)nc3c2s1
• InChI: InChI=1S/C25H29N7O2S.C20H21N5OS.C19H18ClN5OS.C19H19N5O2S.C19H17N3O3S2/c1-14(2)12-15-4-5-16(22(26)33)13-18(15)28-25-30-21-19(35-25)7-6-17-20(21)29-23(27-17)24(34)32-10-8-31(3)9-11-32;1-11(2)8-12-4-5-13(19(21)26)9-14(12)23-20-24-18-16(27-20)7-6-15-17(18)22-10-25(15)3;1-9(2)7-10-3-4-11(17(21)26)8-13(10)23-19-25-16-14(27-19)6-5-12-15(16)24-18(20)22-12;1-9(2)7-10-3-4-11(17(20)25)8-13(10)22-19-24-16-14(27-19)6-5-12-15(16)23-18(26)21-12;1-9(2)25-14-6-4-11(18(23)24)8-13(14)21-19-22-16-15(27-19)7-5-12-17(16)26-10(3)20-12/h4-7,13-14H,8-12H2,1-3H3,(H2,26,33)(H,27,29)(H,28,30);4-7,9-11H,8H2,1-3H3,(H2,21,26)(H,23,24);3-6,8-9H,7H2,1-2H3,(H2,21,26)(H,22,24)(H,23,25);3-6,8-9H,7H2,1-2H3,(H2,20,25)(H,22,24)(H2,21,23,26);4-9H,1-3H3,(H,21,22)(H,23,24)
• InChIKey: QWJFIWVYHUFDIZ-UHFFFAOYSA-N
• XLogP: 21.64
• TPSA: 503.76 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 30
• Rotatable Bonds: 26
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2051.97
LogP ≤ 5	21.64
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 3-[(7-chloro-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzamide;3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzamide;3-[[7-(4-methylpiperazine-1-carbonyl)-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl]amino]-4-(2-methylpropyl)benzamide;4-(2-methylpropyl)-3-[(7-oxo-6,8-dihydroimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;3-[(2-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-yl)amino]-4-propan-2-yloxybenzoic acid?

The IUPAC name of 3-[(7-chloro-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzamide;3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzamide;3-[[7-(4-methylpiperazine-1-carbonyl)-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl]amino]-4-(2-methylpropyl)benzamide;4-(2-methylpropyl)-3-[(7-oxo-6,8-dihydroimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;3-[(2-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-yl)amino]-4-propan-2-yloxybenzoic acid (CID 160537651) is 3-[(7-chloro-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzamide;3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzamide;3-[[7-(4-methylpiperazine-1-carbonyl)-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl]amino]-4-(2-methylpropyl)benzamide;4-(2-methylpropyl)-3-[(7-oxo-6,8-dihydroimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;3-[(2-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-yl)amino]-4-propan-2-yloxybenzoic acid.

What is the SMILES notation for 3-[(7-chloro-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzamide;3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzamide;3-[[7-(4-methylpiperazine-1-carbonyl)-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl]amino]-4-(2-methylpropyl)benzamide;4-(2-methylpropyl)-3-[(7-oxo-6,8-dihydroimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;3-[(2-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-yl)amino]-4-propan-2-yloxybenzoic acid?

The canonical SMILES for 3-[(7-chloro-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzamide;3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzamide;3-[[7-(4-methylpiperazine-1-carbonyl)-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl]amino]-4-(2-methylpropyl)benzamide;4-(2-methylpropyl)-3-[(7-oxo-6,8-dihydroimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;3-[(2-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-yl)amino]-4-propan-2-yloxybenzoic acid is CC(C)Cc1ccc(C(N)=O)cc1Nc1nc2c(ccc3[nH]c(=O)[nH]c32)s1.CC(C)Cc1ccc(C(N)=O)cc1Nc1nc2c(ccc3[nH]c(C(=O)N4CCN(C)CC4)nc32)s1.CC(C)Cc1ccc(C(N)=O)cc1Nc1nc2c(ccc3[nH]c(Cl)nc32)s1.CC(C)Cc1ccc(C(N)=O)cc1Nc1nc2c(ccc3c2ncn3C)s1.Cc1nc2ccc3sc(Nc4cc(C(=O)O)ccc4OC(C)C)nc3c2s1.

What is the InChIKey of 3-[(7-chloro-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzamide;3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzamide;3-[[7-(4-methylpiperazine-1-carbonyl)-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl]amino]-4-(2-methylpropyl)benzamide;4-(2-methylpropyl)-3-[(7-oxo-6,8-dihydroimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;3-[(2-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-yl)amino]-4-propan-2-yloxybenzoic acid?

The InChIKey is QWJFIWVYHUFDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O2S.C20H21N5OS.C19H18ClN5OS.C19H19N5O2S.C19H17N3O3S2/c1-14(2)12-15-4-5-16(22(26)33)13-18(15)28-25-30-21-19(35-25)7-6-17-20(21)29-23(27-17)24(34)32-10-8-31(3)9-11-32;1-11(2)8-12-4-5-13(19(21)26)9-14(12)23-20-24-18-16(27-20)7-6-15-17(18)22-10-25(15)3;1-9(2)7-10-3-4-11(17(21)26)8-13(10)23-19-25-16-14(27-19)6-5-12-15(16)24-18(20)22-12;1-9(2)7-10-3-4-11(17(20)25)8-13(10)22-19-24-16-14(27-19)6-5-12-15(16)23-18(26)21-12;1-9(2)25-14-6-4-11(18(23)24)8-13(14)21-19-22-16-15(27-19)7-5-12-17(16)26-10(3)20-12/h4-7,13-14H,8-12H2,1-3H3,(H2,26,33)(H,27,29)(H,28,30);4-7,9-11H,8H2,1-3H3,(H2,21,26)(H,23,24);3-6,8-9H,7H2,1-2H3,(H2,21,26)(H,22,24)(H,23,25);3-6,8-9H,7H2,1-2H3,(H2,20,25)(H,22,24)(H2,21,23,26);4-9H,1-3H3,(H,21,22)(H,23,24).

What are the key properties of 3-[(7-chloro-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzamide;3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzamide;3-[[7-(4-methylpiperazine-1-carbonyl)-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl]amino]-4-(2-methylpropyl)benzamide;4-(2-methylpropyl)-3-[(7-oxo-6,8-dihydroimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;3-[(2-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-yl)amino]-4-propan-2-yloxybenzoic acid?

3-[(7-chloro-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzamide;3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzamide;3-[[7-(4-methylpiperazine-1-carbonyl)-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl]amino]-4-(2-methylpropyl)benzamide;4-(2-methylpropyl)-3-[(7-oxo-6,8-dihydroimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;3-[(2-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-yl)amino]-4-propan-2-yloxybenzoic acid has a molecular weight of 2051.97 g/mol, XLogP of 21.64, 26 rotatable bonds, 14 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(7-chloro-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzamide;3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzamide;3-[[7-(4-methylpiperazine-1-carbonyl)-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl]amino]-4-(2-methylpropyl)benzamide;4-(2-methylpropyl)-3-[(7-oxo-6,8-dihydroimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;3-[(2-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-yl)amino]-4-propan-2-yloxybenzoic acid is sourced from PubChem (CID 160537651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).