5-[5-(1,1-difluoroethyl)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole;N-[5-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine;[5-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrimidin-2-yl]-methyl-methylidene-λ4-sulfane;2-(3,4-dimethoxyphenyl)-5-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole;2-(3,4-dimethoxyphenyl)-5-(2-methylsulfanylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazole

C98H98F2N26O11S7 — CID 161306044

About 5-[5-(1,1-difluoroethyl)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole;N-[5-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine;[5-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrimidin-2-yl]-methyl-methylidene-λ4-sulfane;2-(3,4-dimethoxyphenyl)-5-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole;2-(3,4-dimethoxyphenyl)-5-(2-methylsulfanylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazole

5-[5-(1,1-difluoroethyl)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole;N-[5-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine;[5-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrimidin-2-yl]-methyl-methylidene-λ4-sulfane;2-(3,4-dimethoxyphenyl)-5-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole;2-(3,4-dimethoxyphenyl)-5-(2-methylsulfanylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 161306044) has the molecular formula C98H98F2N26O11S7 and a molecular weight of 2078.50 g/mol. Its IUPAC name is 5-[5-(1,1-difluoroethyl)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole;N-[5-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine;[5-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrimidin-2-yl]-methyl-methylidene-λ4-sulfane;2-(3,4-dimethoxyphenyl)-5-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole;2-(3,4-dimethoxyphenyl)-5-(2-methylsulfanylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

• Compound Name: 5-[5-(1,1-difluoroethyl)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole;N-[5-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine;[5-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrimidin-2-yl]-methyl-methylidene-λ4-sulfane;2-(3,4-dimethoxyphenyl)-5-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole;2-(3,4-dimethoxyphenyl)-5-(2-methylsulfanylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazole
• PubChem CID: 161306044
• Molecular Formula: C98H98F2N26O11S7
• Molecular Weight: 2078.50 g/mol
• Exact Mass: 2076.59
• IUPAC Name: 5-[5-(1,1-difluoroethyl)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole;N-[5-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine;[5-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrimidin-2-yl]-methyl-methylidene-λ4-sulfane;2-(3,4-dimethoxyphenyl)-5-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole;2-(3,4-dimethoxyphenyl)-5-(2-methylsulfanylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazole
• SMILES: C=S(C)c1ncc(-c2cnc3sc(-c4ccc(OC)c(OC)c4)nn23)cn1.COc1ccc(-c2nn3c(-c4cnc(N5CCN(C)CC5)c(C(C)(F)F)c4)cnc3s2)cc1OC.COc1ccc(-c2nn3c(-c4cnc(NCCN(C)C)nc4)cnc3s2)cc1OC.COc1ccc(-c2nn3c(-c4cnc(SC)nc4)cnc3s2)cc1OC.COc1cccc(-c2cnc3sc(-c4ccc(OC)c(OC)c4)nn23)c1
• InChI: InChI=1S/C24H26F2N6O2S.C20H23N7O2S.C19H17N3O3S.C18H17N5O2S2.C17H15N5O2S2/c1-24(25,26)17-11-16(13-27-21(17)31-9-7-30(2)8-10-31)18-14-28-23-32(18)29-22(35-23)15-5-6-19(33-3)20(12-15)34-4;1-26(2)8-7-21-19-22-10-14(11-23-19)15-12-24-20-27(15)25-18(30-20)13-5-6-16(28-3)17(9-13)29-4;1-23-14-6-4-5-12(9-14)15-11-20-19-22(15)21-18(26-19)13-7-8-16(24-2)17(10-13)25-3;1-24-14-6-5-11(7-15(14)25-2)16-22-23-13(10-21-18(23)26-16)12-8-19-17(20-9-12)27(3)4;1-23-13-5-4-10(6-14(13)24-2)15-21-22-12(9-20-17(22)26-15)11-7-18-16(25-3)19-8-11/h5-6,11-14H,7-10H2,1-4H3;5-6,9-12H,7-8H2,1-4H3,(H,21,22,23);4-11H,1-3H3;5-10H,3H2,1-2,4H3;4-9H,1-3H3
• InChIKey: VIGIKVVRDHVRTI-UHFFFAOYSA-N
• XLogP: 18.73
• TPSA: 364.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 43
• Rotatable Bonds: 29
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2078.50
LogP ≤ 5	18.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[5-(1,1-difluoroethyl)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole;N-[5-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine;[5-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrimidin-2-yl]-methyl-methylidene-λ4-sulfane;2-(3,4-dimethoxyphenyl)-5-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole;2-(3,4-dimethoxyphenyl)-5-(2-methylsulfanylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazole?

The IUPAC name of 5-[5-(1,1-difluoroethyl)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole;N-[5-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine;[5-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrimidin-2-yl]-methyl-methylidene-λ4-sulfane;2-(3,4-dimethoxyphenyl)-5-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole;2-(3,4-dimethoxyphenyl)-5-(2-methylsulfanylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazole (CID 161306044) is 5-[5-(1,1-difluoroethyl)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole;N-[5-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine;[5-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrimidin-2-yl]-methyl-methylidene-λ4-sulfane;2-(3,4-dimethoxyphenyl)-5-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole;2-(3,4-dimethoxyphenyl)-5-(2-methylsulfanylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazole.

What is the SMILES notation for 5-[5-(1,1-difluoroethyl)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole;N-[5-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine;[5-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrimidin-2-yl]-methyl-methylidene-λ4-sulfane;2-(3,4-dimethoxyphenyl)-5-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole;2-(3,4-dimethoxyphenyl)-5-(2-methylsulfanylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazole?

The canonical SMILES for 5-[5-(1,1-difluoroethyl)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole;N-[5-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine;[5-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrimidin-2-yl]-methyl-methylidene-λ4-sulfane;2-(3,4-dimethoxyphenyl)-5-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole;2-(3,4-dimethoxyphenyl)-5-(2-methylsulfanylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazole is C=S(C)c1ncc(-c2cnc3sc(-c4ccc(OC)c(OC)c4)nn23)cn1.COc1ccc(-c2nn3c(-c4cnc(N5CCN(C)CC5)c(C(C)(F)F)c4)cnc3s2)cc1OC.COc1ccc(-c2nn3c(-c4cnc(NCCN(C)C)nc4)cnc3s2)cc1OC.COc1ccc(-c2nn3c(-c4cnc(SC)nc4)cnc3s2)cc1OC.COc1cccc(-c2cnc3sc(-c4ccc(OC)c(OC)c4)nn23)c1.

What is the InChIKey of 5-[5-(1,1-difluoroethyl)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole;N-[5-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine;[5-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrimidin-2-yl]-methyl-methylidene-λ4-sulfane;2-(3,4-dimethoxyphenyl)-5-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole;2-(3,4-dimethoxyphenyl)-5-(2-methylsulfanylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazole?

The InChIKey is VIGIKVVRDHVRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N6O2S.C20H23N7O2S.C19H17N3O3S.C18H17N5O2S2.C17H15N5O2S2/c1-24(25,26)17-11-16(13-27-21(17)31-9-7-30(2)8-10-31)18-14-28-23-32(18)29-22(35-23)15-5-6-19(33-3)20(12-15)34-4;1-26(2)8-7-21-19-22-10-14(11-23-19)15-12-24-20-27(15)25-18(30-20)13-5-6-16(28-3)17(9-13)29-4;1-23-14-6-4-5-12(9-14)15-11-20-19-22(15)21-18(26-19)13-7-8-16(24-2)17(10-13)25-3;1-24-14-6-5-11(7-15(14)25-2)16-22-23-13(10-21-18(23)26-16)12-8-19-17(20-9-12)27(3)4;1-23-13-5-4-10(6-14(13)24-2)15-21-22-12(9-20-17(22)26-15)11-7-18-16(25-3)19-8-11/h5-6,11-14H,7-10H2,1-4H3;5-6,9-12H,7-8H2,1-4H3,(H,21,22,23);4-11H,1-3H3;5-10H,3H2,1-2,4H3;4-9H,1-3H3.

What are the key properties of 5-[5-(1,1-difluoroethyl)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole;N-[5-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine;[5-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrimidin-2-yl]-methyl-methylidene-λ4-sulfane;2-(3,4-dimethoxyphenyl)-5-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole;2-(3,4-dimethoxyphenyl)-5-(2-methylsulfanylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazole?

5-[5-(1,1-difluoroethyl)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole;N-[5-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine;[5-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrimidin-2-yl]-methyl-methylidene-λ4-sulfane;2-(3,4-dimethoxyphenyl)-5-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole;2-(3,4-dimethoxyphenyl)-5-(2-methylsulfanylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 2078.50 g/mol, XLogP of 18.73, 29 rotatable bonds, 1 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-(1,1-difluoroethyl)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole;N-[5-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine;[5-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrimidin-2-yl]-methyl-methylidene-λ4-sulfane;2-(3,4-dimethoxyphenyl)-5-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole;2-(3,4-dimethoxyphenyl)-5-(2-methylsulfanylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 161306044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).