1-[3-[(7-amino-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]phenyl]ethanone;N-[2-(2-methoxyanilino)-6H-imidazo[4,5-e][1,3]benzothiazol-7-yl]acetamide;N-(2-methoxyphenyl)-4-methyl-3,11-dithia-5,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,12-tetraen-12-amine;3-[(2-methyl-4,5-dihydro-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-yl)amino]-4-propan-2-yloxybenzamide;3-[(2-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-yl)amino]-4-propan-2-yloxybenzamide

C88H83N21O8S8 — CID 158457995

About 1-[3-[(7-amino-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]phenyl]ethanone;N-[2-(2-methoxyanilino)-6H-imidazo[4,5-e][1,3]benzothiazol-7-yl]acetamide;N-(2-methoxyphenyl)-4-methyl-3,11-dithia-5,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,12-tetraen-12-amine;3-[(2-methyl-4,5-dihydro-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-yl)amino]-4-propan-2-yloxybenzamide;3-[(2-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-yl)amino]-4-propan-2-yloxybenzamide

1-[3-[(7-amino-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]phenyl]ethanone;N-[2-(2-methoxyanilino)-6H-imidazo[4,5-e][1,3]benzothiazol-7-yl]acetamide;N-(2-methoxyphenyl)-4-methyl-3,11-dithia-5,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,12-tetraen-12-amine;3-[(2-methyl-4,5-dihydro-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-yl)amino]-4-propan-2-yloxybenzamide;3-[(2-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-yl)amino]-4-propan-2-yloxybenzamide (PubChem CID 158457995) has the molecular formula C88H83N21O8S8 and a molecular weight of 1819.31 g/mol. Its IUPAC name is 1-[3-[(7-amino-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]phenyl]ethanone;N-[2-(2-methoxyanilino)-6H-imidazo[4,5-e][1,3]benzothiazol-7-yl]acetamide;N-(2-methoxyphenyl)-4-methyl-3,11-dithia-5,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,12-tetraen-12-amine;3-[(2-methyl-4,5-dihydro-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-yl)amino]-4-propan-2-yloxybenzamide;3-[(2-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-yl)amino]-4-propan-2-yloxybenzamide.

Molecular Properties

• Compound Name: 1-[3-[(7-amino-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]phenyl]ethanone;N-[2-(2-methoxyanilino)-6H-imidazo[4,5-e][1,3]benzothiazol-7-yl]acetamide;N-(2-methoxyphenyl)-4-methyl-3,11-dithia-5,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,12-tetraen-12-amine;3-[(2-methyl-4,5-dihydro-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-yl)amino]-4-propan-2-yloxybenzamide;3-[(2-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-yl)amino]-4-propan-2-yloxybenzamide
• PubChem CID: 158457995
• Molecular Formula: C88H83N21O8S8
• Molecular Weight: 1819.31 g/mol
• Exact Mass: 1817.45
• IUPAC Name: 1-[3-[(7-amino-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]phenyl]ethanone;N-[2-(2-methoxyanilino)-6H-imidazo[4,5-e][1,3]benzothiazol-7-yl]acetamide;N-(2-methoxyphenyl)-4-methyl-3,11-dithia-5,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,12-tetraen-12-amine;3-[(2-methyl-4,5-dihydro-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-yl)amino]-4-propan-2-yloxybenzamide;3-[(2-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-yl)amino]-4-propan-2-yloxybenzamide
• SMILES: CC(=O)c1cccc(Nc2nc3c(ccc4[nH]c(N)nc43)s2)c1.COc1ccccc1Nc1nc2c(ccc3[nH]c(NC(C)=O)nc32)s1.COc1ccccc1Nc1nc2c(s1)CCCc1nc(C)sc1-2.Cc1nc2c(s1)-c1nc(Nc3cc(C(N)=O)ccc3OC(C)C)sc1CC2.Cc1nc2ccc3sc(Nc4cc(C(N)=O)ccc4OC(C)C)nc3c2s1
• InChI: InChI=1S/C19H20N4O2S2.C19H18N4O2S2.C17H15N5O2S.C17H17N3OS2.C16H13N5OS/c2*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;1-9(23)18-16-19-11-7-8-13-15(14(11)21-16)22-17(25-13)20-10-5-3-4-6-12(10)24-2;1-10-18-12-7-5-9-14-15(16(12)22-10)20-17(23-14)19-11-6-3-4-8-13(11)21-2;1-8(22)9-3-2-4-10(7-9)18-16-21-14-12(23-16)6-5-11-13(14)20-15(17)19-11/h4,6,8-9H,5,7H2,1-3H3,(H2,20,24)(H,22,23);4-9H,1-3H3,(H2,20,24)(H,22,23);3-8H,1-2H3,(H,20,22)(H2,18,19,21,23);3-4,6,8H,5,7,9H2,1-2H3,(H,19,20);2-7H,1H3,(H,18,21)(H3,17,19,20)
• InChIKey: HEUREJGLKLZZNL-UHFFFAOYSA-N
• XLogP: 21.55
• TPSA: 415.92 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 32
• Rotatable Bonds: 20
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1819.31
LogP ≤ 5	21.55
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(7-amino-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]phenyl]ethanone;N-[2-(2-methoxyanilino)-6H-imidazo[4,5-e][1,3]benzothiazol-7-yl]acetamide;N-(2-methoxyphenyl)-4-methyl-3,11-dithia-5,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,12-tetraen-12-amine;3-[(2-methyl-4,5-dihydro-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-yl)amino]-4-propan-2-yloxybenzamide;3-[(2-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-yl)amino]-4-propan-2-yloxybenzamide?

The IUPAC name of 1-[3-[(7-amino-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]phenyl]ethanone;N-[2-(2-methoxyanilino)-6H-imidazo[4,5-e][1,3]benzothiazol-7-yl]acetamide;N-(2-methoxyphenyl)-4-methyl-3,11-dithia-5,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,12-tetraen-12-amine;3-[(2-methyl-4,5-dihydro-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-yl)amino]-4-propan-2-yloxybenzamide;3-[(2-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-yl)amino]-4-propan-2-yloxybenzamide (CID 158457995) is 1-[3-[(7-amino-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]phenyl]ethanone;N-[2-(2-methoxyanilino)-6H-imidazo[4,5-e][1,3]benzothiazol-7-yl]acetamide;N-(2-methoxyphenyl)-4-methyl-3,11-dithia-5,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,12-tetraen-12-amine;3-[(2-methyl-4,5-dihydro-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-yl)amino]-4-propan-2-yloxybenzamide;3-[(2-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-yl)amino]-4-propan-2-yloxybenzamide.

What is the SMILES notation for 1-[3-[(7-amino-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]phenyl]ethanone;N-[2-(2-methoxyanilino)-6H-imidazo[4,5-e][1,3]benzothiazol-7-yl]acetamide;N-(2-methoxyphenyl)-4-methyl-3,11-dithia-5,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,12-tetraen-12-amine;3-[(2-methyl-4,5-dihydro-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-yl)amino]-4-propan-2-yloxybenzamide;3-[(2-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-yl)amino]-4-propan-2-yloxybenzamide?

The canonical SMILES for 1-[3-[(7-amino-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]phenyl]ethanone;N-[2-(2-methoxyanilino)-6H-imidazo[4,5-e][1,3]benzothiazol-7-yl]acetamide;N-(2-methoxyphenyl)-4-methyl-3,11-dithia-5,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,12-tetraen-12-amine;3-[(2-methyl-4,5-dihydro-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-yl)amino]-4-propan-2-yloxybenzamide;3-[(2-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-yl)amino]-4-propan-2-yloxybenzamide is CC(=O)c1cccc(Nc2nc3c(ccc4[nH]c(N)nc43)s2)c1.COc1ccccc1Nc1nc2c(ccc3[nH]c(NC(C)=O)nc32)s1.COc1ccccc1Nc1nc2c(s1)CCCc1nc(C)sc1-2.Cc1nc2c(s1)-c1nc(Nc3cc(C(N)=O)ccc3OC(C)C)sc1CC2.Cc1nc2ccc3sc(Nc4cc(C(N)=O)ccc4OC(C)C)nc3c2s1.

What is the InChIKey of 1-[3-[(7-amino-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]phenyl]ethanone;N-[2-(2-methoxyanilino)-6H-imidazo[4,5-e][1,3]benzothiazol-7-yl]acetamide;N-(2-methoxyphenyl)-4-methyl-3,11-dithia-5,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,12-tetraen-12-amine;3-[(2-methyl-4,5-dihydro-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-yl)amino]-4-propan-2-yloxybenzamide;3-[(2-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-yl)amino]-4-propan-2-yloxybenzamide?

The InChIKey is HEUREJGLKLZZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S2.C19H18N4O2S2.C17H15N5O2S.C17H17N3OS2.C16H13N5OS/c2*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;1-9(23)18-16-19-11-7-8-13-15(14(11)21-16)22-17(25-13)20-10-5-3-4-6-12(10)24-2;1-10-18-12-7-5-9-14-15(16(12)22-10)20-17(23-14)19-11-6-3-4-8-13(11)21-2;1-8(22)9-3-2-4-10(7-9)18-16-21-14-12(23-16)6-5-11-13(14)20-15(17)19-11/h4,6,8-9H,5,7H2,1-3H3,(H2,20,24)(H,22,23);4-9H,1-3H3,(H2,20,24)(H,22,23);3-8H,1-2H3,(H,20,22)(H2,18,19,21,23);3-4,6,8H,5,7,9H2,1-2H3,(H,19,20);2-7H,1H3,(H,18,21)(H3,17,19,20).

What are the key properties of 1-[3-[(7-amino-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]phenyl]ethanone;N-[2-(2-methoxyanilino)-6H-imidazo[4,5-e][1,3]benzothiazol-7-yl]acetamide;N-(2-methoxyphenyl)-4-methyl-3,11-dithia-5,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,12-tetraen-12-amine;3-[(2-methyl-4,5-dihydro-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-yl)amino]-4-propan-2-yloxybenzamide;3-[(2-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-yl)amino]-4-propan-2-yloxybenzamide?

1-[3-[(7-amino-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]phenyl]ethanone;N-[2-(2-methoxyanilino)-6H-imidazo[4,5-e][1,3]benzothiazol-7-yl]acetamide;N-(2-methoxyphenyl)-4-methyl-3,11-dithia-5,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,12-tetraen-12-amine;3-[(2-methyl-4,5-dihydro-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-yl)amino]-4-propan-2-yloxybenzamide;3-[(2-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-yl)amino]-4-propan-2-yloxybenzamide has a molecular weight of 1819.31 g/mol, XLogP of 21.55, 20 rotatable bonds, 11 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[(7-amino-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]phenyl]ethanone;N-[2-(2-methoxyanilino)-6H-imidazo[4,5-e][1,3]benzothiazol-7-yl]acetamide;N-(2-methoxyphenyl)-4-methyl-3,11-dithia-5,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,12-tetraen-12-amine;3-[(2-methyl-4,5-dihydro-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-yl)amino]-4-propan-2-yloxybenzamide;3-[(2-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-yl)amino]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 158457995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).