3-(1,1-difluoroethyl)-5-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyridin-2-amine;2-(3,4-dimethoxyphenyl)-5-(6-methoxy-3-pyridinyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole;4-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzonitrile;2-(3,4-dimethoxyphenyl)-6-methyl-5-(2-methylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazole;2-(3,4-dimethoxyphenyl)-6-methyl-5-phenylimidazo[2,1-b][1,3,4]thiadiazole

C96H87F2N21O11S5 — CID 161335821

About 3-(1,1-difluoroethyl)-5-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyridin-2-amine;2-(3,4-dimethoxyphenyl)-5-(6-methoxy-3-pyridinyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole;4-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzonitrile;2-(3,4-dimethoxyphenyl)-6-methyl-5-(2-methylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazole;2-(3,4-dimethoxyphenyl)-6-methyl-5-phenylimidazo[2,1-b][1,3,4]thiadiazole

3-(1,1-difluoroethyl)-5-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyridin-2-amine;2-(3,4-dimethoxyphenyl)-5-(6-methoxy-3-pyridinyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole;4-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzonitrile;2-(3,4-dimethoxyphenyl)-6-methyl-5-(2-methylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazole;2-(3,4-dimethoxyphenyl)-6-methyl-5-phenylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 161335821) has the molecular formula C96H87F2N21O11S5 and a molecular weight of 1909.22 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-5-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyridin-2-amine;2-(3,4-dimethoxyphenyl)-5-(6-methoxy-3-pyridinyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole;4-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzonitrile;2-(3,4-dimethoxyphenyl)-6-methyl-5-(2-methylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazole;2-(3,4-dimethoxyphenyl)-6-methyl-5-phenylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

• Compound Name: 3-(1,1-difluoroethyl)-5-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyridin-2-amine;2-(3,4-dimethoxyphenyl)-5-(6-methoxy-3-pyridinyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole;4-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzonitrile;2-(3,4-dimethoxyphenyl)-6-methyl-5-(2-methylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazole;2-(3,4-dimethoxyphenyl)-6-methyl-5-phenylimidazo[2,1-b][1,3,4]thiadiazole
• PubChem CID: 161335821
• Molecular Formula: C96H87F2N21O11S5
• Molecular Weight: 1909.22 g/mol
• Exact Mass: 1907.55
• IUPAC Name: 3-(1,1-difluoroethyl)-5-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyridin-2-amine;2-(3,4-dimethoxyphenyl)-5-(6-methoxy-3-pyridinyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole;4-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzonitrile;2-(3,4-dimethoxyphenyl)-6-methyl-5-(2-methylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazole;2-(3,4-dimethoxyphenyl)-6-methyl-5-phenylimidazo[2,1-b][1,3,4]thiadiazole
• SMILES: COc1ccc(-c2c(C)nc3sc(-c4ccc(OC)c(OC)c4)nn23)cn1.COc1ccc(-c2nn3c(-c4ccc(C#N)cc4)c(C)nc3s2)cc1OC.COc1ccc(-c2nn3c(-c4ccccc4)c(C)nc3s2)cc1OC.COc1ccc(-c2nn3c(-c4cnc(C)nc4)c(C)nc3s2)cc1OC.COc1ccc(-c2nn3c(-c4cnc(N)c(C(C)(F)F)c4)c(C)nc3s2)cc1OC
• InChI: InChI=1S/C20H19F2N5O2S.C20H16N4O2S.C19H18N4O3S.C19H17N3O2S.C18H17N5O2S/c1-10-16(12-7-13(20(2,21)22)17(23)24-9-12)27-19(25-10)30-18(26-27)11-5-6-14(28-3)15(8-11)29-4;1-12-18(14-6-4-13(11-21)5-7-14)24-20(22-12)27-19(23-24)15-8-9-16(25-2)17(10-15)26-3;1-11-17(13-6-8-16(26-4)20-10-13)23-19(21-11)27-18(22-23)12-5-7-14(24-2)15(9-12)25-3;1-12-17(13-7-5-4-6-8-13)22-19(20-12)25-18(21-22)14-9-10-15(23-2)16(11-14)24-3;1-10-16(13-8-19-11(2)20-9-13)23-18(21-10)26-17(22-23)12-5-6-14(24-3)15(7-12)25-4/h5-9H,1-4H3,(H2,23,24);4-10H,1-3H3;5-10H,1-4H3;4-11H,1-3H3;5-9H,1-4H3
• InChIKey: VMAFQSIOSMDJJC-UHFFFAOYSA-N
• XLogP: 20.71
• TPSA: 353.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 37
• Rotatable Bonds: 22
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1909.22
LogP ≤ 5	20.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-5-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyridin-2-amine;2-(3,4-dimethoxyphenyl)-5-(6-methoxy-3-pyridinyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole;4-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzonitrile;2-(3,4-dimethoxyphenyl)-6-methyl-5-(2-methylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazole;2-(3,4-dimethoxyphenyl)-6-methyl-5-phenylimidazo[2,1-b][1,3,4]thiadiazole?

The IUPAC name of 3-(1,1-difluoroethyl)-5-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyridin-2-amine;2-(3,4-dimethoxyphenyl)-5-(6-methoxy-3-pyridinyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole;4-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzonitrile;2-(3,4-dimethoxyphenyl)-6-methyl-5-(2-methylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazole;2-(3,4-dimethoxyphenyl)-6-methyl-5-phenylimidazo[2,1-b][1,3,4]thiadiazole (CID 161335821) is 3-(1,1-difluoroethyl)-5-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyridin-2-amine;2-(3,4-dimethoxyphenyl)-5-(6-methoxy-3-pyridinyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole;4-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzonitrile;2-(3,4-dimethoxyphenyl)-6-methyl-5-(2-methylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazole;2-(3,4-dimethoxyphenyl)-6-methyl-5-phenylimidazo[2,1-b][1,3,4]thiadiazole.

What is the SMILES notation for 3-(1,1-difluoroethyl)-5-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyridin-2-amine;2-(3,4-dimethoxyphenyl)-5-(6-methoxy-3-pyridinyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole;4-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzonitrile;2-(3,4-dimethoxyphenyl)-6-methyl-5-(2-methylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazole;2-(3,4-dimethoxyphenyl)-6-methyl-5-phenylimidazo[2,1-b][1,3,4]thiadiazole?

The canonical SMILES for 3-(1,1-difluoroethyl)-5-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyridin-2-amine;2-(3,4-dimethoxyphenyl)-5-(6-methoxy-3-pyridinyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole;4-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzonitrile;2-(3,4-dimethoxyphenyl)-6-methyl-5-(2-methylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazole;2-(3,4-dimethoxyphenyl)-6-methyl-5-phenylimidazo[2,1-b][1,3,4]thiadiazole is COc1ccc(-c2c(C)nc3sc(-c4ccc(OC)c(OC)c4)nn23)cn1.COc1ccc(-c2nn3c(-c4ccc(C#N)cc4)c(C)nc3s2)cc1OC.COc1ccc(-c2nn3c(-c4ccccc4)c(C)nc3s2)cc1OC.COc1ccc(-c2nn3c(-c4cnc(C)nc4)c(C)nc3s2)cc1OC.COc1ccc(-c2nn3c(-c4cnc(N)c(C(C)(F)F)c4)c(C)nc3s2)cc1OC.

What is the InChIKey of 3-(1,1-difluoroethyl)-5-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyridin-2-amine;2-(3,4-dimethoxyphenyl)-5-(6-methoxy-3-pyridinyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole;4-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzonitrile;2-(3,4-dimethoxyphenyl)-6-methyl-5-(2-methylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazole;2-(3,4-dimethoxyphenyl)-6-methyl-5-phenylimidazo[2,1-b][1,3,4]thiadiazole?

The InChIKey is VMAFQSIOSMDJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N5O2S.C20H16N4O2S.C19H18N4O3S.C19H17N3O2S.C18H17N5O2S/c1-10-16(12-7-13(20(2,21)22)17(23)24-9-12)27-19(25-10)30-18(26-27)11-5-6-14(28-3)15(8-11)29-4;1-12-18(14-6-4-13(11-21)5-7-14)24-20(22-12)27-19(23-24)15-8-9-16(25-2)17(10-15)26-3;1-11-17(13-6-8-16(26-4)20-10-13)23-19(21-11)27-18(22-23)12-5-7-14(24-2)15(9-12)25-3;1-12-17(13-7-5-4-6-8-13)22-19(20-12)25-18(21-22)14-9-10-15(23-2)16(11-14)24-3;1-10-16(13-8-19-11(2)20-9-13)23-18(21-10)26-17(22-23)12-5-6-14(24-3)15(7-12)25-4/h5-9H,1-4H3,(H2,23,24);4-10H,1-3H3;5-10H,1-4H3;4-11H,1-3H3;5-9H,1-4H3.

What are the key properties of 3-(1,1-difluoroethyl)-5-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyridin-2-amine;2-(3,4-dimethoxyphenyl)-5-(6-methoxy-3-pyridinyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole;4-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzonitrile;2-(3,4-dimethoxyphenyl)-6-methyl-5-(2-methylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazole;2-(3,4-dimethoxyphenyl)-6-methyl-5-phenylimidazo[2,1-b][1,3,4]thiadiazole?

3-(1,1-difluoroethyl)-5-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyridin-2-amine;2-(3,4-dimethoxyphenyl)-5-(6-methoxy-3-pyridinyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole;4-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzonitrile;2-(3,4-dimethoxyphenyl)-6-methyl-5-(2-methylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazole;2-(3,4-dimethoxyphenyl)-6-methyl-5-phenylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 1909.22 g/mol, XLogP of 20.71, 22 rotatable bonds, 1 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1,1-difluoroethyl)-5-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyridin-2-amine;2-(3,4-dimethoxyphenyl)-5-(6-methoxy-3-pyridinyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole;4-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzonitrile;2-(3,4-dimethoxyphenyl)-6-methyl-5-(2-methylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazole;2-(3,4-dimethoxyphenyl)-6-methyl-5-phenylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 161335821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).