(2-amino-1,3-benzothiazol-6-yl)-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone;(3-methyl-4-propan-2-yloxyphenyl)-(9-methylspiro[9bH-chromeno[4,3-b]pyrrole-4,4'-piperidine]-1'-yl)methanone;(3-methyl-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[5-(trifluoromethoxy)-1H-indol-2-yl]methanone;molecular hydrogen

C102H103F6N13O11S — CID 162241105

About (2-amino-1,3-benzothiazol-6-yl)-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone;(3-methyl-4-propan-2-yloxyphenyl)-(9-methylspiro[9bH-chromeno[4,3-b]pyrrole-4,4'-piperidine]-1'-yl)methanone;(3-methyl-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[5-(trifluoromethoxy)-1H-indol-2-yl]methanone;molecular hydrogen

(2-amino-1,3-benzothiazol-6-yl)-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone;(3-methyl-4-propan-2-yloxyphenyl)-(9-methylspiro[9bH-chromeno[4,3-b]pyrrole-4,4'-piperidine]-1'-yl)methanone;(3-methyl-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[5-(trifluoromethoxy)-1H-indol-2-yl]methanone;molecular hydrogen (PubChem CID 162241105) has the molecular formula C102H103F6N13O11S and a molecular weight of 1833.08 g/mol. Its IUPAC name is (2-amino-1,3-benzothiazol-6-yl)-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone;(3-methyl-4-propan-2-yloxyphenyl)-(9-methylspiro[9bH-chromeno[4,3-b]pyrrole-4,4'-piperidine]-1'-yl)methanone;(3-methyl-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[5-(trifluoromethoxy)-1H-indol-2-yl]methanone;molecular hydrogen.

Molecular Properties

• Compound Name: (2-amino-1,3-benzothiazol-6-yl)-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone;(3-methyl-4-propan-2-yloxyphenyl)-(9-methylspiro[9bH-chromeno[4,3-b]pyrrole-4,4'-piperidine]-1'-yl)methanone;(3-methyl-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[5-(trifluoromethoxy)-1H-indol-2-yl]methanone;molecular hydrogen
• PubChem CID: 162241105
• Molecular Formula: C102H103F6N13O11S
• Molecular Weight: 1833.08 g/mol
• Exact Mass: 1831.75
• IUPAC Name: (2-amino-1,3-benzothiazol-6-yl)-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone;(3-methyl-4-propan-2-yloxyphenyl)-(9-methylspiro[9bH-chromeno[4,3-b]pyrrole-4,4'-piperidine]-1'-yl)methanone;(3-methyl-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[5-(trifluoromethoxy)-1H-indol-2-yl]methanone;molecular hydrogen
• SMILES: Cc1cc(C(=O)N2CCC3(CC2)Oc2cccc(C)c2C2N=CC=C23)ccc1OC(C)C.Cc1cc(C(=O)N2CCC3(CC2)Oc2ccccc2-c2c3cnn2C)ccc1OC(C)C.Cn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2cc3cc(OC(F)(F)F)ccc3[nH]2)CC1.Nc1nc2ccc(C(=O)N3CCC4(CC3)Oc3ccccc3-n3c(C(F)(F)F)ccc34)cc2s1.[H][H].[H][H]
• InChI: InChI=1S/C27H30N2O3.C26H29N3O3.C25H21F3N4O3.C24H19F3N4O2S.2H2/c1-17(2)31-22-9-8-20(16-19(22)4)26(30)29-14-11-27(12-15-29)21-10-13-28-25(21)24-18(3)6-5-7-23(24)32-27;1-17(2)31-22-10-9-19(15-18(22)3)25(30)29-13-11-26(12-14-29)21-16-27-28(4)24(21)20-7-5-6-8-23(20)32-26;1-31-22-17-4-2-3-5-21(17)35-24(18(22)14-29-31)8-10-32(11-9-24)23(33)20-13-15-12-16(34-25(26,27)28)6-7-19(15)30-20;25-24(26,27)20-8-7-19-23(33-17-4-2-1-3-16(17)31(19)20)9-11-30(12-10-23)21(32)14-5-6-15-18(13-14)34-22(28)29-15;;/h5-10,13,16-17,25H,11-12,14-15H2,1-4H3;5-10,15-17H,11-14H2,1-4H3;2-7,12-14,30H,8-11H2,1H3;1-8,13H,9-12H2,(H2,28,29);2*1H
• InChIKey: ZWSGDYWFJZQYIP-UHFFFAOYSA-N
• XLogP: 20.61
• TPSA: 253.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 9
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1833.08
LogP ≤ 5	20.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2-amino-1,3-benzothiazol-6-yl)-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone;(3-methyl-4-propan-2-yloxyphenyl)-(9-methylspiro[9bH-chromeno[4,3-b]pyrrole-4,4'-piperidine]-1'-yl)methanone;(3-methyl-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[5-(trifluoromethoxy)-1H-indol-2-yl]methanone;molecular hydrogen?

The IUPAC name of (2-amino-1,3-benzothiazol-6-yl)-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone;(3-methyl-4-propan-2-yloxyphenyl)-(9-methylspiro[9bH-chromeno[4,3-b]pyrrole-4,4'-piperidine]-1'-yl)methanone;(3-methyl-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[5-(trifluoromethoxy)-1H-indol-2-yl]methanone;molecular hydrogen (CID 162241105) is (2-amino-1,3-benzothiazol-6-yl)-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone;(3-methyl-4-propan-2-yloxyphenyl)-(9-methylspiro[9bH-chromeno[4,3-b]pyrrole-4,4'-piperidine]-1'-yl)methanone;(3-methyl-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[5-(trifluoromethoxy)-1H-indol-2-yl]methanone;molecular hydrogen.

What is the SMILES notation for (2-amino-1,3-benzothiazol-6-yl)-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone;(3-methyl-4-propan-2-yloxyphenyl)-(9-methylspiro[9bH-chromeno[4,3-b]pyrrole-4,4'-piperidine]-1'-yl)methanone;(3-methyl-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[5-(trifluoromethoxy)-1H-indol-2-yl]methanone;molecular hydrogen?

The canonical SMILES for (2-amino-1,3-benzothiazol-6-yl)-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone;(3-methyl-4-propan-2-yloxyphenyl)-(9-methylspiro[9bH-chromeno[4,3-b]pyrrole-4,4'-piperidine]-1'-yl)methanone;(3-methyl-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[5-(trifluoromethoxy)-1H-indol-2-yl]methanone;molecular hydrogen is Cc1cc(C(=O)N2CCC3(CC2)Oc2cccc(C)c2C2N=CC=C23)ccc1OC(C)C.Cc1cc(C(=O)N2CCC3(CC2)Oc2ccccc2-c2c3cnn2C)ccc1OC(C)C.Cn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2cc3cc(OC(F)(F)F)ccc3[nH]2)CC1.Nc1nc2ccc(C(=O)N3CCC4(CC3)Oc3ccccc3-n3c(C(F)(F)F)ccc34)cc2s1.[H][H].[H][H].

What is the InChIKey of (2-amino-1,3-benzothiazol-6-yl)-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone;(3-methyl-4-propan-2-yloxyphenyl)-(9-methylspiro[9bH-chromeno[4,3-b]pyrrole-4,4'-piperidine]-1'-yl)methanone;(3-methyl-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[5-(trifluoromethoxy)-1H-indol-2-yl]methanone;molecular hydrogen?

The InChIKey is ZWSGDYWFJZQYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O3.C26H29N3O3.C25H21F3N4O3.C24H19F3N4O2S.2H2/c1-17(2)31-22-9-8-20(16-19(22)4)26(30)29-14-11-27(12-15-29)21-10-13-28-25(21)24-18(3)6-5-7-23(24)32-27;1-17(2)31-22-10-9-19(15-18(22)3)25(30)29-13-11-26(12-14-29)21-16-27-28(4)24(21)20-7-5-6-8-23(20)32-26;1-31-22-17-4-2-3-5-21(17)35-24(18(22)14-29-31)8-10-32(11-9-24)23(33)20-13-15-12-16(34-25(26,27)28)6-7-19(15)30-20;25-24(26,27)20-8-7-19-23(33-17-4-2-1-3-16(17)31(19)20)9-11-30(12-10-23)21(32)14-5-6-15-18(13-14)34-22(28)29-15;;/h5-10,13,16-17,25H,11-12,14-15H2,1-4H3;5-10,15-17H,11-14H2,1-4H3;2-7,12-14,30H,8-11H2,1H3;1-8,13H,9-12H2,(H2,28,29);2*1H.

What are the key properties of (2-amino-1,3-benzothiazol-6-yl)-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone;(3-methyl-4-propan-2-yloxyphenyl)-(9-methylspiro[9bH-chromeno[4,3-b]pyrrole-4,4'-piperidine]-1'-yl)methanone;(3-methyl-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[5-(trifluoromethoxy)-1H-indol-2-yl]methanone;molecular hydrogen?

(2-amino-1,3-benzothiazol-6-yl)-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone;(3-methyl-4-propan-2-yloxyphenyl)-(9-methylspiro[9bH-chromeno[4,3-b]pyrrole-4,4'-piperidine]-1'-yl)methanone;(3-methyl-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[5-(trifluoromethoxy)-1H-indol-2-yl]methanone;molecular hydrogen has a molecular weight of 1833.08 g/mol, XLogP of 20.61, 9 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for (2-amino-1,3-benzothiazol-6-yl)-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone;(3-methyl-4-propan-2-yloxyphenyl)-(9-methylspiro[9bH-chromeno[4,3-b]pyrrole-4,4'-piperidine]-1'-yl)methanone;(3-methyl-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[5-(trifluoromethoxy)-1H-indol-2-yl]methanone;molecular hydrogen is sourced from PubChem (CID 162241105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).