3-(1,3-benzothiazol-2-yl)-4-methyl-7-piperazin-1-ylchromen-2-one;7-(4-ethylpiperazin-1-yl)-3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)chromen-2-one;3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;7-[[2-hydroxyethyl(methyl)amino]methyl]-3-(6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one

C104H98F2N18O11S2 — CID 162139423

About 3-(1,3-benzothiazol-2-yl)-4-methyl-7-piperazin-1-ylchromen-2-one;7-(4-ethylpiperazin-1-yl)-3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)chromen-2-one;3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;7-[[2-hydroxyethyl(methyl)amino]methyl]-3-(6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one

3-(1,3-benzothiazol-2-yl)-4-methyl-7-piperazin-1-ylchromen-2-one;7-(4-ethylpiperazin-1-yl)-3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)chromen-2-one;3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;7-[[2-hydroxyethyl(methyl)amino]methyl]-3-(6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one (PubChem CID 162139423) has the molecular formula C104H98F2N18O11S2 and a molecular weight of 1878.17 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-yl)-4-methyl-7-piperazin-1-ylchromen-2-one;7-(4-ethylpiperazin-1-yl)-3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)chromen-2-one;3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;7-[[2-hydroxyethyl(methyl)amino]methyl]-3-(6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one.

Molecular Properties

• Compound Name: 3-(1,3-benzothiazol-2-yl)-4-methyl-7-piperazin-1-ylchromen-2-one;7-(4-ethylpiperazin-1-yl)-3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)chromen-2-one;3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;7-[[2-hydroxyethyl(methyl)amino]methyl]-3-(6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one
• PubChem CID: 162139423
• Molecular Formula: C104H98F2N18O11S2
• Molecular Weight: 1878.17 g/mol
• Exact Mass: 1876.71
• IUPAC Name: 3-(1,3-benzothiazol-2-yl)-4-methyl-7-piperazin-1-ylchromen-2-one;7-(4-ethylpiperazin-1-yl)-3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)chromen-2-one;3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;7-[[2-hydroxyethyl(methyl)amino]methyl]-3-(6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one
• SMILES: CCN1CCN(c2ccc3cc(-c4cn5cc(C)sc5n4)c(=O)oc3c2)CC1.CN1CCN(c2ccc3cc(-c4cn5cccc(F)c5n4)c(=O)oc3c2)CC1.Cc1c(-c2nc3ccccc3s2)c(=O)oc2cc(N3CCNCC3)ccc12.Cc1ccc2nc(-c3cc4ccc(CN(C)CCO)cc4oc3=O)cn2c1.O=c1oc2cc(N3CCNCC3)ccc2cc1-c1cn2cccc(F)c2n1
• InChI: InChI=1S/C21H19FN4O2.C21H22N4O2S.C21H21N3O3.C21H19N3O2S.C20H17FN4O2/c1-24-7-9-25(10-8-24)15-5-4-14-11-16(21(27)28-19(14)12-15)18-13-26-6-2-3-17(22)20(26)23-18;1-3-23-6-8-24(9-7-23)16-5-4-15-10-17(20(26)27-19(15)11-16)18-13-25-12-14(2)28-21(25)22-18;1-14-3-6-20-22-18(13-24(20)11-14)17-10-16-5-4-15(12-23(2)7-8-25)9-19(16)27-21(17)26;1-13-15-7-6-14(24-10-8-22-9-11-24)12-17(15)26-21(25)19(13)20-23-16-4-2-3-5-18(16)27-20;21-16-2-1-7-25-12-17(23-19(16)25)15-10-13-3-4-14(11-18(13)27-20(15)26)24-8-5-22-6-9-24/h2-6,11-13H,7-10H2,1H3;4-5,10-13H,3,6-9H2,1-2H3;3-6,9-11,13,25H,7-8,12H2,1-2H3;2-7,12,22H,8-11H2,1H3;1-4,7,10-12,22H,5-6,8-9H2
• InChIKey: ZJSOCXSNTPWKSI-UHFFFAOYSA-N
• XLogP: 15.90
• TPSA: 300.11 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 31
• Rotatable Bonds: 14
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1878.17
LogP ≤ 5	15.90
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'cumarine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-yl)-4-methyl-7-piperazin-1-ylchromen-2-one;7-(4-ethylpiperazin-1-yl)-3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)chromen-2-one;3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;7-[[2-hydroxyethyl(methyl)amino]methyl]-3-(6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one?

The IUPAC name of 3-(1,3-benzothiazol-2-yl)-4-methyl-7-piperazin-1-ylchromen-2-one;7-(4-ethylpiperazin-1-yl)-3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)chromen-2-one;3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;7-[[2-hydroxyethyl(methyl)amino]methyl]-3-(6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one (CID 162139423) is 3-(1,3-benzothiazol-2-yl)-4-methyl-7-piperazin-1-ylchromen-2-one;7-(4-ethylpiperazin-1-yl)-3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)chromen-2-one;3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;7-[[2-hydroxyethyl(methyl)amino]methyl]-3-(6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one.

What is the SMILES notation for 3-(1,3-benzothiazol-2-yl)-4-methyl-7-piperazin-1-ylchromen-2-one;7-(4-ethylpiperazin-1-yl)-3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)chromen-2-one;3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;7-[[2-hydroxyethyl(methyl)amino]methyl]-3-(6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one?

The canonical SMILES for 3-(1,3-benzothiazol-2-yl)-4-methyl-7-piperazin-1-ylchromen-2-one;7-(4-ethylpiperazin-1-yl)-3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)chromen-2-one;3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;7-[[2-hydroxyethyl(methyl)amino]methyl]-3-(6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one is CCN1CCN(c2ccc3cc(-c4cn5cc(C)sc5n4)c(=O)oc3c2)CC1.CN1CCN(c2ccc3cc(-c4cn5cccc(F)c5n4)c(=O)oc3c2)CC1.Cc1c(-c2nc3ccccc3s2)c(=O)oc2cc(N3CCNCC3)ccc12.Cc1ccc2nc(-c3cc4ccc(CN(C)CCO)cc4oc3=O)cn2c1.O=c1oc2cc(N3CCNCC3)ccc2cc1-c1cn2cccc(F)c2n1.

What is the InChIKey of 3-(1,3-benzothiazol-2-yl)-4-methyl-7-piperazin-1-ylchromen-2-one;7-(4-ethylpiperazin-1-yl)-3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)chromen-2-one;3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;7-[[2-hydroxyethyl(methyl)amino]methyl]-3-(6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one?

The InChIKey is ZJSOCXSNTPWKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2.C21H22N4O2S.C21H21N3O3.C21H19N3O2S.C20H17FN4O2/c1-24-7-9-25(10-8-24)15-5-4-14-11-16(21(27)28-19(14)12-15)18-13-26-6-2-3-17(22)20(26)23-18;1-3-23-6-8-24(9-7-23)16-5-4-15-10-17(20(26)27-19(15)11-16)18-13-25-12-14(2)28-21(25)22-18;1-14-3-6-20-22-18(13-24(20)11-14)17-10-16-5-4-15(12-23(2)7-8-25)9-19(16)27-21(17)26;1-13-15-7-6-14(24-10-8-22-9-11-24)12-17(15)26-21(25)19(13)20-23-16-4-2-3-5-18(16)27-20;21-16-2-1-7-25-12-17(23-19(16)25)15-10-13-3-4-14(11-18(13)27-20(15)26)24-8-5-22-6-9-24/h2-6,11-13H,7-10H2,1H3;4-5,10-13H,3,6-9H2,1-2H3;3-6,9-11,13,25H,7-8,12H2,1-2H3;2-7,12,22H,8-11H2,1H3;1-4,7,10-12,22H,5-6,8-9H2.

What are the key properties of 3-(1,3-benzothiazol-2-yl)-4-methyl-7-piperazin-1-ylchromen-2-one;7-(4-ethylpiperazin-1-yl)-3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)chromen-2-one;3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;7-[[2-hydroxyethyl(methyl)amino]methyl]-3-(6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one?

3-(1,3-benzothiazol-2-yl)-4-methyl-7-piperazin-1-ylchromen-2-one;7-(4-ethylpiperazin-1-yl)-3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)chromen-2-one;3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;7-[[2-hydroxyethyl(methyl)amino]methyl]-3-(6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one has a molecular weight of 1878.17 g/mol, XLogP of 15.90, 14 rotatable bonds, 3 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1,3-benzothiazol-2-yl)-4-methyl-7-piperazin-1-ylchromen-2-one;7-(4-ethylpiperazin-1-yl)-3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)chromen-2-one;3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;7-[[2-hydroxyethyl(methyl)amino]methyl]-3-(6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one is sourced from PubChem (CID 162139423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).