tert-butyl 4-[2-methoxy-4-[5-(2-methylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]phenoxy]piperidine-1-carboxylate;2-(4-cyclohexyloxy-3-methoxyphenyl)-5-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazole;2-(4-cyclohexyloxy-3-methoxyphenyl)-5-(2-methylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazole;4-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzonitrile;5-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-ethynylpyridin-2-amine

C109H106N24O13S5 — CID 159307719

About tert-butyl 4-[2-methoxy-4-[5-(2-methylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]phenoxy]piperidine-1-carboxylate;2-(4-cyclohexyloxy-3-methoxyphenyl)-5-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazole;2-(4-cyclohexyloxy-3-methoxyphenyl)-5-(2-methylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazole;4-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzonitrile;5-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-ethynylpyridin-2-amine

tert-butyl 4-[2-methoxy-4-[5-(2-methylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]phenoxy]piperidine-1-carboxylate;2-(4-cyclohexyloxy-3-methoxyphenyl)-5-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazole;2-(4-cyclohexyloxy-3-methoxyphenyl)-5-(2-methylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazole;4-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzonitrile;5-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-ethynylpyridin-2-amine (PubChem CID 159307719) has the molecular formula C109H106N24O13S5 and a molecular weight of 2120.54 g/mol. Its IUPAC name is tert-butyl 4-[2-methoxy-4-[5-(2-methylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]phenoxy]piperidine-1-carboxylate;2-(4-cyclohexyloxy-3-methoxyphenyl)-5-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazole;2-(4-cyclohexyloxy-3-methoxyphenyl)-5-(2-methylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazole;4-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzonitrile;5-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-ethynylpyridin-2-amine.

Molecular Properties

• Compound Name: tert-butyl 4-[2-methoxy-4-[5-(2-methylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]phenoxy]piperidine-1-carboxylate;2-(4-cyclohexyloxy-3-methoxyphenyl)-5-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazole;2-(4-cyclohexyloxy-3-methoxyphenyl)-5-(2-methylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazole;4-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzonitrile;5-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-ethynylpyridin-2-amine
• PubChem CID: 159307719
• Molecular Formula: C109H106N24O13S5
• Molecular Weight: 2120.54 g/mol
• Exact Mass: 2118.70
• IUPAC Name: tert-butyl 4-[2-methoxy-4-[5-(2-methylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]phenoxy]piperidine-1-carboxylate;2-(4-cyclohexyloxy-3-methoxyphenyl)-5-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazole;2-(4-cyclohexyloxy-3-methoxyphenyl)-5-(2-methylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazole;4-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzonitrile;5-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-ethynylpyridin-2-amine
• SMILES: C#Cc1cc(-c2cnc3sc(-c4ccc(OC)c(OC)c4)nn23)cnc1N.COc1cc(-c2nn3c(-c4cnc(C)nc4)cnc3s2)ccc1OC1CCCCC1.COc1cc(-c2nn3c(-c4cnc(C)nc4)cnc3s2)ccc1OC1CCN(C(=O)OC(C)(C)C)CC1.COc1ccc(-c2cnc3sc(-c4ccc(OC5CCCCC5)c(OC)c4)nn23)cn1.COc1ccc(-c2nn3c(-c4ccc(C#N)cc4)cnc3s2)cc1OC
• InChI: InChI=1S/C26H30N6O4S.C23H24N4O3S.C22H23N5O2S.C19H15N5O2S.C19H14N4O2S/c1-16-27-13-18(14-28-16)20-15-29-24-32(20)30-23(37-24)17-6-7-21(22(12-17)34-5)35-19-8-10-31(11-9-19)25(33)36-26(2,3)4;1-28-20-12-15(8-10-19(20)30-17-6-4-3-5-7-17)22-26-27-18(14-25-23(27)31-22)16-9-11-21(29-2)24-13-16;1-14-23-11-16(12-24-14)18-13-25-22-27(18)26-21(30-22)15-8-9-19(20(10-15)28-2)29-17-6-4-3-5-7-17;1-4-11-7-13(9-21-17(11)20)14-10-22-19-24(14)23-18(27-19)12-5-6-15(25-2)16(8-12)26-3;1-24-16-8-7-14(9-17(16)25-2)18-22-23-15(11-21-19(23)26-18)13-5-3-12(10-20)4-6-13/h6-7,12-15,19H,8-11H2,1-5H3;8-14,17H,3-7H2,1-2H3;8-13,17H,3-7H2,1-2H3;1,5-10H,2-3H3,(H2,20,21);3-9,11H,1-2H3
• InChIKey: LCDAFSPLPNTHJR-UHFFFAOYSA-N
• XLogP: 22.32
• TPSA: 409.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 41
• Rotatable Bonds: 24
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2120.54
LogP ≤ 5	22.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-methoxy-4-[5-(2-methylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]phenoxy]piperidine-1-carboxylate;2-(4-cyclohexyloxy-3-methoxyphenyl)-5-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazole;2-(4-cyclohexyloxy-3-methoxyphenyl)-5-(2-methylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazole;4-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzonitrile;5-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-ethynylpyridin-2-amine?

The IUPAC name of tert-butyl 4-[2-methoxy-4-[5-(2-methylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]phenoxy]piperidine-1-carboxylate;2-(4-cyclohexyloxy-3-methoxyphenyl)-5-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazole;2-(4-cyclohexyloxy-3-methoxyphenyl)-5-(2-methylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazole;4-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzonitrile;5-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-ethynylpyridin-2-amine (CID 159307719) is tert-butyl 4-[2-methoxy-4-[5-(2-methylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]phenoxy]piperidine-1-carboxylate;2-(4-cyclohexyloxy-3-methoxyphenyl)-5-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazole;2-(4-cyclohexyloxy-3-methoxyphenyl)-5-(2-methylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazole;4-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzonitrile;5-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-ethynylpyridin-2-amine.

What is the SMILES notation for tert-butyl 4-[2-methoxy-4-[5-(2-methylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]phenoxy]piperidine-1-carboxylate;2-(4-cyclohexyloxy-3-methoxyphenyl)-5-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazole;2-(4-cyclohexyloxy-3-methoxyphenyl)-5-(2-methylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazole;4-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzonitrile;5-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-ethynylpyridin-2-amine?

The canonical SMILES for tert-butyl 4-[2-methoxy-4-[5-(2-methylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]phenoxy]piperidine-1-carboxylate;2-(4-cyclohexyloxy-3-methoxyphenyl)-5-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazole;2-(4-cyclohexyloxy-3-methoxyphenyl)-5-(2-methylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazole;4-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzonitrile;5-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-ethynylpyridin-2-amine is C#Cc1cc(-c2cnc3sc(-c4ccc(OC)c(OC)c4)nn23)cnc1N.COc1cc(-c2nn3c(-c4cnc(C)nc4)cnc3s2)ccc1OC1CCCCC1.COc1cc(-c2nn3c(-c4cnc(C)nc4)cnc3s2)ccc1OC1CCN(C(=O)OC(C)(C)C)CC1.COc1ccc(-c2cnc3sc(-c4ccc(OC5CCCCC5)c(OC)c4)nn23)cn1.COc1ccc(-c2nn3c(-c4ccc(C#N)cc4)cnc3s2)cc1OC.

What is the InChIKey of tert-butyl 4-[2-methoxy-4-[5-(2-methylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]phenoxy]piperidine-1-carboxylate;2-(4-cyclohexyloxy-3-methoxyphenyl)-5-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazole;2-(4-cyclohexyloxy-3-methoxyphenyl)-5-(2-methylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazole;4-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzonitrile;5-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-ethynylpyridin-2-amine?

The InChIKey is LCDAFSPLPNTHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O4S.C23H24N4O3S.C22H23N5O2S.C19H15N5O2S.C19H14N4O2S/c1-16-27-13-18(14-28-16)20-15-29-24-32(20)30-23(37-24)17-6-7-21(22(12-17)34-5)35-19-8-10-31(11-9-19)25(33)36-26(2,3)4;1-28-20-12-15(8-10-19(20)30-17-6-4-3-5-7-17)22-26-27-18(14-25-23(27)31-22)16-9-11-21(29-2)24-13-16;1-14-23-11-16(12-24-14)18-13-25-22-27(18)26-21(30-22)15-8-9-19(20(10-15)28-2)29-17-6-4-3-5-7-17;1-4-11-7-13(9-21-17(11)20)14-10-22-19-24(14)23-18(27-19)12-5-6-15(25-2)16(8-12)26-3;1-24-16-8-7-14(9-17(16)25-2)18-22-23-15(11-21-19(23)26-18)13-5-3-12(10-20)4-6-13/h6-7,12-15,19H,8-11H2,1-5H3;8-14,17H,3-7H2,1-2H3;8-13,17H,3-7H2,1-2H3;1,5-10H,2-3H3,(H2,20,21);3-9,11H,1-2H3.

What are the key properties of tert-butyl 4-[2-methoxy-4-[5-(2-methylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]phenoxy]piperidine-1-carboxylate;2-(4-cyclohexyloxy-3-methoxyphenyl)-5-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazole;2-(4-cyclohexyloxy-3-methoxyphenyl)-5-(2-methylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazole;4-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzonitrile;5-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-ethynylpyridin-2-amine?

tert-butyl 4-[2-methoxy-4-[5-(2-methylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]phenoxy]piperidine-1-carboxylate;2-(4-cyclohexyloxy-3-methoxyphenyl)-5-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazole;2-(4-cyclohexyloxy-3-methoxyphenyl)-5-(2-methylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazole;4-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzonitrile;5-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-ethynylpyridin-2-amine has a molecular weight of 2120.54 g/mol, XLogP of 22.32, 24 rotatable bonds, 1 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[2-methoxy-4-[5-(2-methylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]phenoxy]piperidine-1-carboxylate;2-(4-cyclohexyloxy-3-methoxyphenyl)-5-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazole;2-(4-cyclohexyloxy-3-methoxyphenyl)-5-(2-methylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazole;4-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzonitrile;5-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-ethynylpyridin-2-amine is sourced from PubChem (CID 159307719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).