3-(4,5-dihydro-[1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)-4-(2-methylpropyl)benzamide;3-(4,5-dihydro-[1,3]thiazolo[4,5-f]quinolin-2-ylamino)-4-methoxybenzamide;3-(4,5-dihydro-[1,3]thiazolo[5,4-h]isoquinolin-2-ylamino)-4-(2-methylpropyl)benzamide;3-[(7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzenesulfonamide;8-ethyl-N-(2-methoxyphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzenesulfonamide

C117H122N26O11S8 — CID 159477911

About 3-(4,5-dihydro-[1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)-4-(2-methylpropyl)benzamide;3-(4,5-dihydro-[1,3]thiazolo[4,5-f]quinolin-2-ylamino)-4-methoxybenzamide;3-(4,5-dihydro-[1,3]thiazolo[5,4-h]isoquinolin-2-ylamino)-4-(2-methylpropyl)benzamide;3-[(7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzenesulfonamide;8-ethyl-N-(2-methoxyphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzenesulfonamide

3-(4,5-dihydro-[1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)-4-(2-methylpropyl)benzamide;3-(4,5-dihydro-[1,3]thiazolo[4,5-f]quinolin-2-ylamino)-4-methoxybenzamide;3-(4,5-dihydro-[1,3]thiazolo[5,4-h]isoquinolin-2-ylamino)-4-(2-methylpropyl)benzamide;3-[(7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzenesulfonamide;8-ethyl-N-(2-methoxyphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzenesulfonamide (PubChem CID 159477911) has the molecular formula C117H122N26O11S8 and a molecular weight of 2324.97 g/mol. Its IUPAC name is 3-(4,5-dihydro-[1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)-4-(2-methylpropyl)benzamide;3-(4,5-dihydro-[1,3]thiazolo[4,5-f]quinolin-2-ylamino)-4-methoxybenzamide;3-(4,5-dihydro-[1,3]thiazolo[5,4-h]isoquinolin-2-ylamino)-4-(2-methylpropyl)benzamide;3-[(7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzenesulfonamide;8-ethyl-N-(2-methoxyphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

• Compound Name: 3-(4,5-dihydro-[1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)-4-(2-methylpropyl)benzamide;3-(4,5-dihydro-[1,3]thiazolo[4,5-f]quinolin-2-ylamino)-4-methoxybenzamide;3-(4,5-dihydro-[1,3]thiazolo[5,4-h]isoquinolin-2-ylamino)-4-(2-methylpropyl)benzamide;3-[(7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzenesulfonamide;8-ethyl-N-(2-methoxyphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzenesulfonamide
• PubChem CID: 159477911
• Molecular Formula: C117H122N26O11S8
• Molecular Weight: 2324.97 g/mol
• Exact Mass: 2322.76
• IUPAC Name: 3-(4,5-dihydro-[1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)-4-(2-methylpropyl)benzamide;3-(4,5-dihydro-[1,3]thiazolo[4,5-f]quinolin-2-ylamino)-4-methoxybenzamide;3-(4,5-dihydro-[1,3]thiazolo[5,4-h]isoquinolin-2-ylamino)-4-(2-methylpropyl)benzamide;3-[(7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzenesulfonamide;8-ethyl-N-(2-methoxyphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzenesulfonamide
• SMILES: CC(C)Cc1ccc(C(N)=O)cc1Nc1nc2c(s1)CCc1ccncc1-2.CC(C)Cc1ccc(C(N)=O)cc1Nc1nc2c(s1)CCc1cnccc1-2.CCn1c(C)nc2ccc3sc(Nc4cc(S(N)(=O)=O)ccc4OC(C)C)nc3c21.CCn1c(C)nc2ccc3sc(Nc4ccccc4OC)nc3c21.COc1ccc(C(N)=O)cc1Nc1nc2c(s1)CCc1ncccc1-2.Cc1nc2ccc3sc(Nc4cc(S(N)(=O)=O)ccc4OC(C)C)nc3c2n1C
• InChI: InChI=1S/2C21H22N4OS.C20H23N5O3S2.C19H21N5O3S2.C18H16N4O2S.C18H18N4OS/c1-12(2)9-14-3-4-15(20(22)26)10-17(14)24-21-25-19-16-11-23-8-7-13(16)5-6-18(19)27-21;1-12(2)9-13-3-4-14(20(22)26)10-17(13)24-21-25-19-16-7-8-23-11-15(16)5-6-18(19)27-21;1-5-25-12(4)22-14-7-9-17-18(19(14)25)24-20(29-17)23-15-10-13(30(21,26)27)6-8-16(15)28-11(2)3;1-10(2)27-15-7-5-12(29(20,25)26)9-14(15)22-19-23-17-16(28-19)8-6-13-18(17)24(4)11(3)21-13;1-24-14-6-4-10(17(19)23)9-13(14)21-18-22-16-11-3-2-8-20-12(11)5-7-15(16)25-18;1-4-22-11(2)19-13-9-10-15-16(17(13)22)21-18(24-15)20-12-7-5-6-8-14(12)23-3/h2*3-4,7-8,10-12H,5-6,9H2,1-2H3,(H2,22,26)(H,24,25);6-11H,5H2,1-4H3,(H,23,24)(H2,21,26,27);5-10H,1-4H3,(H,22,23)(H2,20,25,26);2-4,6,8-9H,5,7H2,1H3,(H2,19,23)(H,21,22);5-10H,4H2,1-3H3,(H,20,21)
• InChIKey: LWPVROIHULGFMO-UHFFFAOYSA-N
• XLogP: 24.39
• TPSA: 528.16 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 38
• Rotatable Bonds: 29
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2324.97
LogP ≤ 5	24.39
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dihydro-[1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)-4-(2-methylpropyl)benzamide;3-(4,5-dihydro-[1,3]thiazolo[4,5-f]quinolin-2-ylamino)-4-methoxybenzamide;3-(4,5-dihydro-[1,3]thiazolo[5,4-h]isoquinolin-2-ylamino)-4-(2-methylpropyl)benzamide;3-[(7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzenesulfonamide;8-ethyl-N-(2-methoxyphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzenesulfonamide?

The IUPAC name of 3-(4,5-dihydro-[1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)-4-(2-methylpropyl)benzamide;3-(4,5-dihydro-[1,3]thiazolo[4,5-f]quinolin-2-ylamino)-4-methoxybenzamide;3-(4,5-dihydro-[1,3]thiazolo[5,4-h]isoquinolin-2-ylamino)-4-(2-methylpropyl)benzamide;3-[(7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzenesulfonamide;8-ethyl-N-(2-methoxyphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzenesulfonamide (CID 159477911) is 3-(4,5-dihydro-[1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)-4-(2-methylpropyl)benzamide;3-(4,5-dihydro-[1,3]thiazolo[4,5-f]quinolin-2-ylamino)-4-methoxybenzamide;3-(4,5-dihydro-[1,3]thiazolo[5,4-h]isoquinolin-2-ylamino)-4-(2-methylpropyl)benzamide;3-[(7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzenesulfonamide;8-ethyl-N-(2-methoxyphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzenesulfonamide.

What is the SMILES notation for 3-(4,5-dihydro-[1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)-4-(2-methylpropyl)benzamide;3-(4,5-dihydro-[1,3]thiazolo[4,5-f]quinolin-2-ylamino)-4-methoxybenzamide;3-(4,5-dihydro-[1,3]thiazolo[5,4-h]isoquinolin-2-ylamino)-4-(2-methylpropyl)benzamide;3-[(7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzenesulfonamide;8-ethyl-N-(2-methoxyphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzenesulfonamide?

The canonical SMILES for 3-(4,5-dihydro-[1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)-4-(2-methylpropyl)benzamide;3-(4,5-dihydro-[1,3]thiazolo[4,5-f]quinolin-2-ylamino)-4-methoxybenzamide;3-(4,5-dihydro-[1,3]thiazolo[5,4-h]isoquinolin-2-ylamino)-4-(2-methylpropyl)benzamide;3-[(7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzenesulfonamide;8-ethyl-N-(2-methoxyphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzenesulfonamide is CC(C)Cc1ccc(C(N)=O)cc1Nc1nc2c(s1)CCc1ccncc1-2.CC(C)Cc1ccc(C(N)=O)cc1Nc1nc2c(s1)CCc1cnccc1-2.CCn1c(C)nc2ccc3sc(Nc4cc(S(N)(=O)=O)ccc4OC(C)C)nc3c21.CCn1c(C)nc2ccc3sc(Nc4ccccc4OC)nc3c21.COc1ccc(C(N)=O)cc1Nc1nc2c(s1)CCc1ncccc1-2.Cc1nc2ccc3sc(Nc4cc(S(N)(=O)=O)ccc4OC(C)C)nc3c2n1C.

What is the InChIKey of 3-(4,5-dihydro-[1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)-4-(2-methylpropyl)benzamide;3-(4,5-dihydro-[1,3]thiazolo[4,5-f]quinolin-2-ylamino)-4-methoxybenzamide;3-(4,5-dihydro-[1,3]thiazolo[5,4-h]isoquinolin-2-ylamino)-4-(2-methylpropyl)benzamide;3-[(7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzenesulfonamide;8-ethyl-N-(2-methoxyphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzenesulfonamide?

The InChIKey is LWPVROIHULGFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H22N4OS.C20H23N5O3S2.C19H21N5O3S2.C18H16N4O2S.C18H18N4OS/c1-12(2)9-14-3-4-15(20(22)26)10-17(14)24-21-25-19-16-11-23-8-7-13(16)5-6-18(19)27-21;1-12(2)9-13-3-4-14(20(22)26)10-17(13)24-21-25-19-16-7-8-23-11-15(16)5-6-18(19)27-21;1-5-25-12(4)22-14-7-9-17-18(19(14)25)24-20(29-17)23-15-10-13(30(21,26)27)6-8-16(15)28-11(2)3;1-10(2)27-15-7-5-12(29(20,25)26)9-14(15)22-19-23-17-16(28-19)8-6-13-18(17)24(4)11(3)21-13;1-24-14-6-4-10(17(19)23)9-13(14)21-18-22-16-11-3-2-8-20-12(11)5-7-15(16)25-18;1-4-22-11(2)19-13-9-10-15-16(17(13)22)21-18(24-15)20-12-7-5-6-8-14(12)23-3/h2*3-4,7-8,10-12H,5-6,9H2,1-2H3,(H2,22,26)(H,24,25);6-11H,5H2,1-4H3,(H,23,24)(H2,21,26,27);5-10H,1-4H3,(H,22,23)(H2,20,25,26);2-4,6,8-9H,5,7H2,1H3,(H2,19,23)(H,21,22);5-10H,4H2,1-3H3,(H,20,21).

What are the key properties of 3-(4,5-dihydro-[1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)-4-(2-methylpropyl)benzamide;3-(4,5-dihydro-[1,3]thiazolo[4,5-f]quinolin-2-ylamino)-4-methoxybenzamide;3-(4,5-dihydro-[1,3]thiazolo[5,4-h]isoquinolin-2-ylamino)-4-(2-methylpropyl)benzamide;3-[(7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzenesulfonamide;8-ethyl-N-(2-methoxyphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzenesulfonamide?

3-(4,5-dihydro-[1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)-4-(2-methylpropyl)benzamide;3-(4,5-dihydro-[1,3]thiazolo[4,5-f]quinolin-2-ylamino)-4-methoxybenzamide;3-(4,5-dihydro-[1,3]thiazolo[5,4-h]isoquinolin-2-ylamino)-4-(2-methylpropyl)benzamide;3-[(7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzenesulfonamide;8-ethyl-N-(2-methoxyphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 2324.97 g/mol, XLogP of 24.39, 29 rotatable bonds, 11 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4,5-dihydro-[1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)-4-(2-methylpropyl)benzamide;3-(4,5-dihydro-[1,3]thiazolo[4,5-f]quinolin-2-ylamino)-4-methoxybenzamide;3-(4,5-dihydro-[1,3]thiazolo[5,4-h]isoquinolin-2-ylamino)-4-(2-methylpropyl)benzamide;3-[(7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzenesulfonamide;8-ethyl-N-(2-methoxyphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 159477911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).