3-(1,3-benzothiazol-2-yl)-7-piperidin-4-yloxychromen-2-one;3-(1,3-benzoxazol-2-yl)-7-[3-(dimethylamino)pyrrolidin-1-yl]chromen-2-one;3-(1,3-benzoxazol-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;3-(8-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;7-(4-methylpiperazin-1-yl)-3-(4-phenyl-1,3-thiazol-2-yl)chromen-2-one

C109H101N15O13S2 — CID 158840858

About 3-(1,3-benzothiazol-2-yl)-7-piperidin-4-yloxychromen-2-one;3-(1,3-benzoxazol-2-yl)-7-[3-(dimethylamino)pyrrolidin-1-yl]chromen-2-one;3-(1,3-benzoxazol-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;3-(8-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;7-(4-methylpiperazin-1-yl)-3-(4-phenyl-1,3-thiazol-2-yl)chromen-2-one

3-(1,3-benzothiazol-2-yl)-7-piperidin-4-yloxychromen-2-one;3-(1,3-benzoxazol-2-yl)-7-[3-(dimethylamino)pyrrolidin-1-yl]chromen-2-one;3-(1,3-benzoxazol-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;3-(8-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;7-(4-methylpiperazin-1-yl)-3-(4-phenyl-1,3-thiazol-2-yl)chromen-2-one (PubChem CID 158840858) has the molecular formula C109H101N15O13S2 and a molecular weight of 1893.23 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-yl)-7-piperidin-4-yloxychromen-2-one;3-(1,3-benzoxazol-2-yl)-7-[3-(dimethylamino)pyrrolidin-1-yl]chromen-2-one;3-(1,3-benzoxazol-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;3-(8-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;7-(4-methylpiperazin-1-yl)-3-(4-phenyl-1,3-thiazol-2-yl)chromen-2-one.

Molecular Properties

• Compound Name: 3-(1,3-benzothiazol-2-yl)-7-piperidin-4-yloxychromen-2-one;3-(1,3-benzoxazol-2-yl)-7-[3-(dimethylamino)pyrrolidin-1-yl]chromen-2-one;3-(1,3-benzoxazol-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;3-(8-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;7-(4-methylpiperazin-1-yl)-3-(4-phenyl-1,3-thiazol-2-yl)chromen-2-one
• PubChem CID: 158840858
• Molecular Formula: C109H101N15O13S2
• Molecular Weight: 1893.23 g/mol
• Exact Mass: 1891.71
• IUPAC Name: 3-(1,3-benzothiazol-2-yl)-7-piperidin-4-yloxychromen-2-one;3-(1,3-benzoxazol-2-yl)-7-[3-(dimethylamino)pyrrolidin-1-yl]chromen-2-one;3-(1,3-benzoxazol-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;3-(8-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;7-(4-methylpiperazin-1-yl)-3-(4-phenyl-1,3-thiazol-2-yl)chromen-2-one
• SMILES: CN(C)C1CCN(c2ccc3cc(-c4nc5ccccc5o4)c(=O)oc3c2)C1.CN1CCCN(c2ccc3cc(-c4nc5ccccc5o4)c(=O)oc3c2)CC1.CN1CCN(c2ccc3cc(-c4nc(-c5ccccc5)cs4)c(=O)oc3c2)CC1.Cc1cccn2cc(-c3cc4ccc(N5CCNCC5)cc4oc3=O)nc12.O=c1oc2cc(OC3CCNCC3)ccc2cc1-c1nc2ccccc2s1
• InChI: InChI=1S/C23H21N3O2S.2C22H21N3O3.C21H20N4O2.C21H18N2O3S/c1-25-9-11-26(12-10-25)18-8-7-17-13-19(23(27)28-21(17)14-18)22-24-20(15-29-22)16-5-3-2-4-6-16;1-24(2)16-9-10-25(13-16)15-8-7-14-11-17(22(26)28-20(14)12-15)21-23-18-5-3-4-6-19(18)27-21;1-24-9-4-10-25(12-11-24)16-8-7-15-13-17(22(26)28-20(15)14-16)21-23-18-5-2-3-6-19(18)27-21;1-14-3-2-8-25-13-18(23-20(14)25)17-11-15-4-5-16(12-19(15)27-21(17)26)24-9-6-22-7-10-24;24-21-16(20-23-17-3-1-2-4-19(17)27-20)11-13-5-6-15(12-18(13)26-21)25-14-7-9-22-10-8-14/h2-8,13-15H,9-12H2,1H3;3-8,11-12,16H,9-10,13H2,1-2H3;2-3,5-8,13-14H,4,9-12H2,1H3;2-5,8,11-13,22H,6-7,9-10H2,1H3;1-6,11-12,14,22H,7-10H2
• InChIKey: IYFLFYYRRUQKOV-UHFFFAOYSA-N
• XLogP: 18.85
• TPSA: 302.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 30
• Rotatable Bonds: 13
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1893.23
LogP ≤ 5	18.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	30

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)-7-piperidin-4-yloxychromen-2-one;3-(1,3-benzoxazol-2-yl)-7-[3-(dimethylamino)pyrrolidin-1-yl]chromen-2-one;3-(1,3-benzoxazol-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;3-(8-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;7-(4-methylpiperazin-1-yl)-3-(4-phenyl-1,3-thiazol-2-yl)chromen-2-one?

The IUPAC name of 3-(1,3-benzothiazol-2-yl)-7-piperidin-4-yloxychromen-2-one;3-(1,3-benzoxazol-2-yl)-7-[3-(dimethylamino)pyrrolidin-1-yl]chromen-2-one;3-(1,3-benzoxazol-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;3-(8-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;7-(4-methylpiperazin-1-yl)-3-(4-phenyl-1,3-thiazol-2-yl)chromen-2-one (CID 158840858) is 3-(1,3-benzothiazol-2-yl)-7-piperidin-4-yloxychromen-2-one;3-(1,3-benzoxazol-2-yl)-7-[3-(dimethylamino)pyrrolidin-1-yl]chromen-2-one;3-(1,3-benzoxazol-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;3-(8-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;7-(4-methylpiperazin-1-yl)-3-(4-phenyl-1,3-thiazol-2-yl)chromen-2-one.

What is the SMILES notation for 3-(1,3-benzothiazol-2-yl)-7-piperidin-4-yloxychromen-2-one;3-(1,3-benzoxazol-2-yl)-7-[3-(dimethylamino)pyrrolidin-1-yl]chromen-2-one;3-(1,3-benzoxazol-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;3-(8-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;7-(4-methylpiperazin-1-yl)-3-(4-phenyl-1,3-thiazol-2-yl)chromen-2-one?

The canonical SMILES for 3-(1,3-benzothiazol-2-yl)-7-piperidin-4-yloxychromen-2-one;3-(1,3-benzoxazol-2-yl)-7-[3-(dimethylamino)pyrrolidin-1-yl]chromen-2-one;3-(1,3-benzoxazol-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;3-(8-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;7-(4-methylpiperazin-1-yl)-3-(4-phenyl-1,3-thiazol-2-yl)chromen-2-one is CN(C)C1CCN(c2ccc3cc(-c4nc5ccccc5o4)c(=O)oc3c2)C1.CN1CCCN(c2ccc3cc(-c4nc5ccccc5o4)c(=O)oc3c2)CC1.CN1CCN(c2ccc3cc(-c4nc(-c5ccccc5)cs4)c(=O)oc3c2)CC1.Cc1cccn2cc(-c3cc4ccc(N5CCNCC5)cc4oc3=O)nc12.O=c1oc2cc(OC3CCNCC3)ccc2cc1-c1nc2ccccc2s1.

What is the InChIKey of 3-(1,3-benzothiazol-2-yl)-7-piperidin-4-yloxychromen-2-one;3-(1,3-benzoxazol-2-yl)-7-[3-(dimethylamino)pyrrolidin-1-yl]chromen-2-one;3-(1,3-benzoxazol-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;3-(8-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;7-(4-methylpiperazin-1-yl)-3-(4-phenyl-1,3-thiazol-2-yl)chromen-2-one?

The InChIKey is IYFLFYYRRUQKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2S.2C22H21N3O3.C21H20N4O2.C21H18N2O3S/c1-25-9-11-26(12-10-25)18-8-7-17-13-19(23(27)28-21(17)14-18)22-24-20(15-29-22)16-5-3-2-4-6-16;1-24(2)16-9-10-25(13-16)15-8-7-14-11-17(22(26)28-20(14)12-15)21-23-18-5-3-4-6-19(18)27-21;1-24-9-4-10-25(12-11-24)16-8-7-15-13-17(22(26)28-20(15)14-16)21-23-18-5-2-3-6-19(18)27-21;1-14-3-2-8-25-13-18(23-20(14)25)17-11-15-4-5-16(12-19(15)27-21(17)26)24-9-6-22-7-10-24;24-21-16(20-23-17-3-1-2-4-19(17)27-20)11-13-5-6-15(12-18(13)26-21)25-14-7-9-22-10-8-14/h2-8,13-15H,9-12H2,1H3;3-8,11-12,16H,9-10,13H2,1-2H3;2-3,5-8,13-14H,4,9-12H2,1H3;2-5,8,11-13,22H,6-7,9-10H2,1H3;1-6,11-12,14,22H,7-10H2.

What are the key properties of 3-(1,3-benzothiazol-2-yl)-7-piperidin-4-yloxychromen-2-one;3-(1,3-benzoxazol-2-yl)-7-[3-(dimethylamino)pyrrolidin-1-yl]chromen-2-one;3-(1,3-benzoxazol-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;3-(8-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;7-(4-methylpiperazin-1-yl)-3-(4-phenyl-1,3-thiazol-2-yl)chromen-2-one?

3-(1,3-benzothiazol-2-yl)-7-piperidin-4-yloxychromen-2-one;3-(1,3-benzoxazol-2-yl)-7-[3-(dimethylamino)pyrrolidin-1-yl]chromen-2-one;3-(1,3-benzoxazol-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;3-(8-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;7-(4-methylpiperazin-1-yl)-3-(4-phenyl-1,3-thiazol-2-yl)chromen-2-one has a molecular weight of 1893.23 g/mol, XLogP of 18.85, 13 rotatable bonds, 2 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1,3-benzothiazol-2-yl)-7-piperidin-4-yloxychromen-2-one;3-(1,3-benzoxazol-2-yl)-7-[3-(dimethylamino)pyrrolidin-1-yl]chromen-2-one;3-(1,3-benzoxazol-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;3-(8-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;7-(4-methylpiperazin-1-yl)-3-(4-phenyl-1,3-thiazol-2-yl)chromen-2-one is sourced from PubChem (CID 158840858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).