3-[(7-amino-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzamide;3-[(7-amino-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzoic acid;N-(5-chloro-2-methoxyphenyl)-2-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-amine;N-(2,5-dimethoxyphenyl)-2-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-amine;3-[(2-methyl-4,5-dihydro-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-yl)amino]-4-propan-2-yloxybenzamide;2-methyl-N-(2-propan-2-yloxyphenyl)-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-amine

C108H103ClN24O9S10 — CID 157403531

About 3-[(7-amino-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzamide;3-[(7-amino-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzoic acid;N-(5-chloro-2-methoxyphenyl)-2-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-amine;N-(2,5-dimethoxyphenyl)-2-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-amine;3-[(2-methyl-4,5-dihydro-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-yl)amino]-4-propan-2-yloxybenzamide;2-methyl-N-(2-propan-2-yloxyphenyl)-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-amine

3-[(7-amino-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzamide;3-[(7-amino-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzoic acid;N-(5-chloro-2-methoxyphenyl)-2-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-amine;N-(2,5-dimethoxyphenyl)-2-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-amine;3-[(2-methyl-4,5-dihydro-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-yl)amino]-4-propan-2-yloxybenzamide;2-methyl-N-(2-propan-2-yloxyphenyl)-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-amine (PubChem CID 157403531) has the molecular formula C108H103ClN24O9S10 and a molecular weight of 2237.29 g/mol. Its IUPAC name is 3-[(7-amino-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzamide;3-[(7-amino-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzoic acid;N-(5-chloro-2-methoxyphenyl)-2-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-amine;N-(2,5-dimethoxyphenyl)-2-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-amine;3-[(2-methyl-4,5-dihydro-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-yl)amino]-4-propan-2-yloxybenzamide;2-methyl-N-(2-propan-2-yloxyphenyl)-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-amine.

Molecular Properties

• Compound Name: 3-[(7-amino-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzamide;3-[(7-amino-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzoic acid;N-(5-chloro-2-methoxyphenyl)-2-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-amine;N-(2,5-dimethoxyphenyl)-2-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-amine;3-[(2-methyl-4,5-dihydro-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-yl)amino]-4-propan-2-yloxybenzamide;2-methyl-N-(2-propan-2-yloxyphenyl)-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-amine
• PubChem CID: 157403531
• Molecular Formula: C108H103ClN24O9S10
• Molecular Weight: 2237.29 g/mol
• Exact Mass: 2234.52
• IUPAC Name: 3-[(7-amino-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzamide;3-[(7-amino-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzoic acid;N-(5-chloro-2-methoxyphenyl)-2-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-amine;N-(2,5-dimethoxyphenyl)-2-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-amine;3-[(2-methyl-4,5-dihydro-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-yl)amino]-4-propan-2-yloxybenzamide;2-methyl-N-(2-propan-2-yloxyphenyl)-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-amine
• SMILES: CC(C)Cc1ccc(C(=O)O)cc1Nc1nc2c(ccc3[nH]c(N)nc32)s1.CC(C)Cc1ccc(C(N)=O)cc1Nc1nc2c(ccc3[nH]c(N)nc32)s1.COc1ccc(Cl)cc1Nc1nc2c(ccc3nc(C)sc32)s1.COc1ccc(OC)c(Nc2nc3c(ccc4nc(C)sc43)s2)c1.Cc1nc2c(s1)-c1nc(Nc3cc(C(N)=O)ccc3OC(C)C)sc1CC2.Cc1nc2ccc3sc(Nc4ccccc4OC(C)C)nc3c2s1
• InChI: InChI=1S/C19H20N6OS.C19H19N5O2S.C19H20N4O2S2.C18H17N3OS2.C17H15N3O2S2.C16H12ClN3OS2/c1-9(2)7-10-3-4-11(17(20)26)8-13(10)23-19-25-16-14(27-19)6-5-12-15(16)24-18(21)22-12;1-9(2)7-10-3-4-11(17(25)26)8-13(10)22-19-24-16-14(27-19)6-5-12-15(16)23-18(20)21-12;1-9(2)25-14-6-4-11(18(20)24)8-13(14)22-19-23-16-15(27-19)7-5-12-17(16)26-10(3)21-12;1-10(2)22-14-7-5-4-6-12(14)20-18-21-16-15(24-18)9-8-13-17(16)23-11(3)19-13;1-9-18-11-5-7-14-15(16(11)23-9)20-17(24-14)19-12-8-10(21-2)4-6-13(12)22-3;1-8-18-10-4-6-13-14(15(10)22-8)20-16(23-13)19-11-7-9(17)3-5-12(11)21-2/h3-6,8-9H,7H2,1-2H3,(H2,20,26)(H,23,25)(H3,21,22,24);3-6,8-9H,7H2,1-2H3,(H,22,24)(H,25,26)(H3,20,21,23);4,6,8-9H,5,7H2,1-3H3,(H2,20,24)(H,22,23);4-10H,1-3H3,(H,20,21);4-8H,1-3H3,(H,19,20);3-7H,1-2H3,(H,19,20)
• InChIKey: BNLKCZAECPVDOM-UHFFFAOYSA-N
• XLogP: 28.83
• TPSA: 480.11 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 38
• Rotatable Bonds: 26
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2237.29
LogP ≤ 5	28.83
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 3-[(7-amino-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzamide;3-[(7-amino-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzoic acid;N-(5-chloro-2-methoxyphenyl)-2-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-amine;N-(2,5-dimethoxyphenyl)-2-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-amine;3-[(2-methyl-4,5-dihydro-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-yl)amino]-4-propan-2-yloxybenzamide;2-methyl-N-(2-propan-2-yloxyphenyl)-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-amine?

The IUPAC name of 3-[(7-amino-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzamide;3-[(7-amino-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzoic acid;N-(5-chloro-2-methoxyphenyl)-2-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-amine;N-(2,5-dimethoxyphenyl)-2-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-amine;3-[(2-methyl-4,5-dihydro-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-yl)amino]-4-propan-2-yloxybenzamide;2-methyl-N-(2-propan-2-yloxyphenyl)-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-amine (CID 157403531) is 3-[(7-amino-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzamide;3-[(7-amino-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzoic acid;N-(5-chloro-2-methoxyphenyl)-2-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-amine;N-(2,5-dimethoxyphenyl)-2-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-amine;3-[(2-methyl-4,5-dihydro-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-yl)amino]-4-propan-2-yloxybenzamide;2-methyl-N-(2-propan-2-yloxyphenyl)-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-amine.

What is the SMILES notation for 3-[(7-amino-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzamide;3-[(7-amino-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzoic acid;N-(5-chloro-2-methoxyphenyl)-2-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-amine;N-(2,5-dimethoxyphenyl)-2-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-amine;3-[(2-methyl-4,5-dihydro-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-yl)amino]-4-propan-2-yloxybenzamide;2-methyl-N-(2-propan-2-yloxyphenyl)-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-amine?

The canonical SMILES for 3-[(7-amino-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzamide;3-[(7-amino-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzoic acid;N-(5-chloro-2-methoxyphenyl)-2-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-amine;N-(2,5-dimethoxyphenyl)-2-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-amine;3-[(2-methyl-4,5-dihydro-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-yl)amino]-4-propan-2-yloxybenzamide;2-methyl-N-(2-propan-2-yloxyphenyl)-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-amine is CC(C)Cc1ccc(C(=O)O)cc1Nc1nc2c(ccc3[nH]c(N)nc32)s1.CC(C)Cc1ccc(C(N)=O)cc1Nc1nc2c(ccc3[nH]c(N)nc32)s1.COc1ccc(Cl)cc1Nc1nc2c(ccc3nc(C)sc32)s1.COc1ccc(OC)c(Nc2nc3c(ccc4nc(C)sc43)s2)c1.Cc1nc2c(s1)-c1nc(Nc3cc(C(N)=O)ccc3OC(C)C)sc1CC2.Cc1nc2ccc3sc(Nc4ccccc4OC(C)C)nc3c2s1.

What is the InChIKey of 3-[(7-amino-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzamide;3-[(7-amino-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzoic acid;N-(5-chloro-2-methoxyphenyl)-2-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-amine;N-(2,5-dimethoxyphenyl)-2-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-amine;3-[(2-methyl-4,5-dihydro-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-yl)amino]-4-propan-2-yloxybenzamide;2-methyl-N-(2-propan-2-yloxyphenyl)-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-amine?

The InChIKey is BNLKCZAECPVDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6OS.C19H19N5O2S.C19H20N4O2S2.C18H17N3OS2.C17H15N3O2S2.C16H12ClN3OS2/c1-9(2)7-10-3-4-11(17(20)26)8-13(10)23-19-25-16-14(27-19)6-5-12-15(16)24-18(21)22-12;1-9(2)7-10-3-4-11(17(25)26)8-13(10)22-19-24-16-14(27-19)6-5-12-15(16)23-18(20)21-12;1-9(2)25-14-6-4-11(18(20)24)8-13(14)22-19-23-16-15(27-19)7-5-12-17(16)26-10(3)21-12;1-10(2)22-14-7-5-4-6-12(14)20-18-21-16-15(24-18)9-8-13-17(16)23-11(3)19-13;1-9-18-11-5-7-14-15(16(11)23-9)20-17(24-14)19-12-8-10(21-2)4-6-13(12)22-3;1-8-18-10-4-6-13-14(15(10)22-8)20-16(23-13)19-11-7-9(17)3-5-12(11)21-2/h3-6,8-9H,7H2,1-2H3,(H2,20,26)(H,23,25)(H3,21,22,24);3-6,8-9H,7H2,1-2H3,(H,22,24)(H,25,26)(H3,20,21,23);4,6,8-9H,5,7H2,1-3H3,(H2,20,24)(H,22,23);4-10H,1-3H3,(H,20,21);4-8H,1-3H3,(H,19,20);3-7H,1-2H3,(H,19,20).

What are the key properties of 3-[(7-amino-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzamide;3-[(7-amino-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzoic acid;N-(5-chloro-2-methoxyphenyl)-2-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-amine;N-(2,5-dimethoxyphenyl)-2-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-amine;3-[(2-methyl-4,5-dihydro-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-yl)amino]-4-propan-2-yloxybenzamide;2-methyl-N-(2-propan-2-yloxyphenyl)-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-amine?

3-[(7-amino-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzamide;3-[(7-amino-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzoic acid;N-(5-chloro-2-methoxyphenyl)-2-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-amine;N-(2,5-dimethoxyphenyl)-2-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-amine;3-[(2-methyl-4,5-dihydro-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-yl)amino]-4-propan-2-yloxybenzamide;2-methyl-N-(2-propan-2-yloxyphenyl)-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-amine has a molecular weight of 2237.29 g/mol, XLogP of 28.83, 26 rotatable bonds, 13 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(7-amino-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzamide;3-[(7-amino-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzoic acid;N-(5-chloro-2-methoxyphenyl)-2-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-amine;N-(2,5-dimethoxyphenyl)-2-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-amine;3-[(2-methyl-4,5-dihydro-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-yl)amino]-4-propan-2-yloxybenzamide;2-methyl-N-(2-propan-2-yloxyphenyl)-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-amine is sourced from PubChem (CID 157403531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).