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;2-N-(2-methoxyphenyl)-6H-imidazo[4,5-e][1,3]benzothiazole-2,7-diamine;2-methyl-N-(2-propan-2-yloxyphenyl)-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-amine

C104H96ClN25O8S9 — CID 160509837

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;2-N-(2-methoxyphenyl)-6H-imidazo[4,5-e][1,3]benzothiazole-2,7-diamine;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;2-N-(2-methoxyphenyl)-6H-imidazo[4,5-e][1,3]benzothiazole-2,7-diamine;2-methyl-N-(2-propan-2-yloxyphenyl)-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-amine (PubChem CID 160509837) has the molecular formula C104H96ClN25O8S9 and a molecular weight of 2148.13 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;2-N-(2-methoxyphenyl)-6H-imidazo[4,5-e][1,3]benzothiazole-2,7-diamine;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;2-N-(2-methoxyphenyl)-6H-imidazo[4,5-e][1,3]benzothiazole-2,7-diamine;2-methyl-N-(2-propan-2-yloxyphenyl)-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-amine
• PubChem CID: 160509837
• Molecular Formula: C104H96ClN25O8S9
• Molecular Weight: 2148.13 g/mol
• Exact Mass: 2145.50
• 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;2-N-(2-methoxyphenyl)-6H-imidazo[4,5-e][1,3]benzothiazole-2,7-diamine;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.COc1ccccc1Nc1nc2c(ccc3[nH]c(N)nc32)s1.Cc1nc2ccc3sc(Nc4ccccc4OC(C)C)nc3c2s1
• InChI: InChI=1S/C19H20N6OS.C19H19N5O2S.C18H17N3OS2.C17H15N3O2S2.C16H12ClN3OS2.C15H13N5OS/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;1-10(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;1-21-10-5-3-2-4-8(10)18-15-20-13-11(22-15)7-6-9-12(13)19-14(16)17-9/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);4-10H,1-3H3,(H,20,21);4-8H,1-3H3,(H,19,20);3-7H,1-2H3,(H,19,20);2-7H,1H3,(H,18,20)(H3,16,17,19)
• InChIKey: QSXBMEAEARXENT-UHFFFAOYSA-N
• XLogP: 28.04
• TPSA: 478.83 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 37
• Rotatable Bonds: 24
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2148.13
LogP ≤ 5	28.04
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	37

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;2-N-(2-methoxyphenyl)-6H-imidazo[4,5-e][1,3]benzothiazole-2,7-diamine;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;2-N-(2-methoxyphenyl)-6H-imidazo[4,5-e][1,3]benzothiazole-2,7-diamine;2-methyl-N-(2-propan-2-yloxyphenyl)-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-amine (CID 160509837) 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;2-N-(2-methoxyphenyl)-6H-imidazo[4,5-e][1,3]benzothiazole-2,7-diamine;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;2-N-(2-methoxyphenyl)-6H-imidazo[4,5-e][1,3]benzothiazole-2,7-diamine;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;2-N-(2-methoxyphenyl)-6H-imidazo[4,5-e][1,3]benzothiazole-2,7-diamine;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.COc1ccccc1Nc1nc2c(ccc3[nH]c(N)nc32)s1.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;2-N-(2-methoxyphenyl)-6H-imidazo[4,5-e][1,3]benzothiazole-2,7-diamine;2-methyl-N-(2-propan-2-yloxyphenyl)-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-amine?

The InChIKey is QSXBMEAEARXENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6OS.C19H19N5O2S.C18H17N3OS2.C17H15N3O2S2.C16H12ClN3OS2.C15H13N5OS/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;1-10(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;1-21-10-5-3-2-4-8(10)18-15-20-13-11(22-15)7-6-9-12(13)19-14(16)17-9/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);4-10H,1-3H3,(H,20,21);4-8H,1-3H3,(H,19,20);3-7H,1-2H3,(H,19,20);2-7H,1H3,(H,18,20)(H3,16,17,19).

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;2-N-(2-methoxyphenyl)-6H-imidazo[4,5-e][1,3]benzothiazole-2,7-diamine;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;2-N-(2-methoxyphenyl)-6H-imidazo[4,5-e][1,3]benzothiazole-2,7-diamine;2-methyl-N-(2-propan-2-yloxyphenyl)-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-amine has a molecular weight of 2148.13 g/mol, XLogP of 28.04, 24 rotatable bonds, 14 hydrogen bond donors, and 37 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;2-N-(2-methoxyphenyl)-6H-imidazo[4,5-e][1,3]benzothiazole-2,7-diamine;2-methyl-N-(2-propan-2-yloxyphenyl)-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-amine is sourced from PubChem (CID 160509837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).