3-[(7-acetamido-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;3-[[7-(hydroxymethyl)-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl]amino]-4-(2-methylpropyl)benzamide;3-[(7-methyl-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;3-[(7-methyl-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzoic acid;2-methyl-N-(2-propan-2-yloxyphenyl)-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-amine

C96H95N23O11S6 — CID 159792770

About 3-[(7-acetamido-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;3-[[7-(hydroxymethyl)-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl]amino]-4-(2-methylpropyl)benzamide;3-[(7-methyl-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;3-[(7-methyl-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzoic acid;2-methyl-N-(2-propan-2-yloxyphenyl)-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-amine

3-[(7-acetamido-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;3-[[7-(hydroxymethyl)-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl]amino]-4-(2-methylpropyl)benzamide;3-[(7-methyl-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;3-[(7-methyl-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzoic acid;2-methyl-N-(2-propan-2-yloxyphenyl)-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-amine (PubChem CID 159792770) has the molecular formula C96H95N23O11S6 and a molecular weight of 1939.37 g/mol. Its IUPAC name is 3-[(7-acetamido-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;3-[[7-(hydroxymethyl)-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl]amino]-4-(2-methylpropyl)benzamide;3-[(7-methyl-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;3-[(7-methyl-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzoic acid;2-methyl-N-(2-propan-2-yloxyphenyl)-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-amine.

Molecular Properties

• Compound Name: 3-[(7-acetamido-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;3-[[7-(hydroxymethyl)-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl]amino]-4-(2-methylpropyl)benzamide;3-[(7-methyl-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;3-[(7-methyl-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzoic acid;2-methyl-N-(2-propan-2-yloxyphenyl)-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-amine
• PubChem CID: 159792770
• Molecular Formula: C96H95N23O11S6
• Molecular Weight: 1939.37 g/mol
• Exact Mass: 1937.59
• IUPAC Name: 3-[(7-acetamido-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;3-[[7-(hydroxymethyl)-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl]amino]-4-(2-methylpropyl)benzamide;3-[(7-methyl-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;3-[(7-methyl-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzoic acid;2-methyl-N-(2-propan-2-yloxyphenyl)-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-amine
• SMILES: CC(=O)Nc1nc2c(ccc3sc(Nc4cc(C(N)=O)ccc4OC(C)C)nc32)[nH]1.CC(C)Cc1ccc(C(N)=O)cc1Nc1nc2c(ccc3[nH]c(CO)nc32)s1.Cc1nc2c(ccc3sc(Nc4cc(C(=O)O)ccc4OC(C)C)nc32)[nH]1.Cc1nc2c(ccc3sc(Nc4cc(C(N)=O)ccc4OC(C)C)nc32)[nH]1.Cc1nc2ccc3sc(Nc4ccccc4OC(C)C)nc3c2s1
• InChI: InChI=1S/C20H20N6O3S.C20H21N5O2S.C19H19N5O2S.C19H18N4O3S.C18H17N3OS2/c1-9(2)29-14-6-4-11(18(21)28)8-13(14)24-20-26-17-15(30-20)7-5-12-16(17)25-19(23-12)22-10(3)27;1-10(2)7-11-3-4-12(19(21)27)8-14(11)23-20-25-18-15(28-20)6-5-13-17(18)24-16(9-26)22-13;1-9(2)26-14-6-4-11(18(20)25)8-13(14)23-19-24-17-15(27-19)7-5-12-16(17)22-10(3)21-12;1-9(2)26-14-6-4-11(18(24)25)8-13(14)22-19-23-17-15(27-19)7-5-12-16(17)21-10(3)20-12;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/h4-9H,1-3H3,(H2,21,28)(H,24,26)(H2,22,23,25,27);3-6,8,10,26H,7,9H2,1-2H3,(H2,21,27)(H,22,24)(H,23,25);4-9H,1-3H3,(H2,20,25)(H,21,22)(H,23,24);4-9H,1-3H3,(H,20,21)(H,22,23)(H,24,25);4-10H,1-3H3,(H,20,21)
• InChIKey: NITWGXJLPWHKQS-UHFFFAOYSA-N
• XLogP: 22.03
• TPSA: 505.03 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 31
• Rotatable Bonds: 26
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1939.37
LogP ≤ 5	22.03
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

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

The IUPAC name of 3-[(7-acetamido-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;3-[[7-(hydroxymethyl)-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl]amino]-4-(2-methylpropyl)benzamide;3-[(7-methyl-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;3-[(7-methyl-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzoic acid;2-methyl-N-(2-propan-2-yloxyphenyl)-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-amine (CID 159792770) is 3-[(7-acetamido-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;3-[[7-(hydroxymethyl)-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl]amino]-4-(2-methylpropyl)benzamide;3-[(7-methyl-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;3-[(7-methyl-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzoic acid;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-acetamido-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;3-[[7-(hydroxymethyl)-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl]amino]-4-(2-methylpropyl)benzamide;3-[(7-methyl-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;3-[(7-methyl-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzoic acid;2-methyl-N-(2-propan-2-yloxyphenyl)-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-amine?

The canonical SMILES for 3-[(7-acetamido-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;3-[[7-(hydroxymethyl)-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl]amino]-4-(2-methylpropyl)benzamide;3-[(7-methyl-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;3-[(7-methyl-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzoic acid;2-methyl-N-(2-propan-2-yloxyphenyl)-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-amine is CC(=O)Nc1nc2c(ccc3sc(Nc4cc(C(N)=O)ccc4OC(C)C)nc32)[nH]1.CC(C)Cc1ccc(C(N)=O)cc1Nc1nc2c(ccc3[nH]c(CO)nc32)s1.Cc1nc2c(ccc3sc(Nc4cc(C(=O)O)ccc4OC(C)C)nc32)[nH]1.Cc1nc2c(ccc3sc(Nc4cc(C(N)=O)ccc4OC(C)C)nc32)[nH]1.Cc1nc2ccc3sc(Nc4ccccc4OC(C)C)nc3c2s1.

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

The InChIKey is NITWGXJLPWHKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O3S.C20H21N5O2S.C19H19N5O2S.C19H18N4O3S.C18H17N3OS2/c1-9(2)29-14-6-4-11(18(21)28)8-13(14)24-20-26-17-15(30-20)7-5-12-16(17)25-19(23-12)22-10(3)27;1-10(2)7-11-3-4-12(19(21)27)8-14(11)23-20-25-18-15(28-20)6-5-13-17(18)24-16(9-26)22-13;1-9(2)26-14-6-4-11(18(20)25)8-13(14)23-19-24-17-15(27-19)7-5-12-16(17)22-10(3)21-12;1-9(2)26-14-6-4-11(18(24)25)8-13(14)22-19-23-17-15(27-19)7-5-12-16(17)21-10(3)20-12;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/h4-9H,1-3H3,(H2,21,28)(H,24,26)(H2,22,23,25,27);3-6,8,10,26H,7,9H2,1-2H3,(H2,21,27)(H,22,24)(H,23,25);4-9H,1-3H3,(H2,20,25)(H,21,22)(H,23,24);4-9H,1-3H3,(H,20,21)(H,22,23)(H,24,25);4-10H,1-3H3,(H,20,21).

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

3-[(7-acetamido-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;3-[[7-(hydroxymethyl)-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl]amino]-4-(2-methylpropyl)benzamide;3-[(7-methyl-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;3-[(7-methyl-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzoic acid;2-methyl-N-(2-propan-2-yloxyphenyl)-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-amine has a molecular weight of 1939.37 g/mol, XLogP of 22.03, 26 rotatable bonds, 15 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(7-acetamido-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;3-[[7-(hydroxymethyl)-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl]amino]-4-(2-methylpropyl)benzamide;3-[(7-methyl-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;3-[(7-methyl-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzoic acid;2-methyl-N-(2-propan-2-yloxyphenyl)-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-amine is sourced from PubChem (CID 159792770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).