5-(2-chloro-4-imidazol-1-ylphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methoxyphenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(2-fluoro-4-imidazol-1-ylphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2-methoxy-4-(1H-pyrazol-5-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine

C88H117ClFN23O2S5 — CID 157162845

About 5-(2-chloro-4-imidazol-1-ylphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methoxyphenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(2-fluoro-4-imidazol-1-ylphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2-methoxy-4-(1H-pyrazol-5-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine

5-(2-chloro-4-imidazol-1-ylphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methoxyphenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(2-fluoro-4-imidazol-1-ylphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2-methoxy-4-(1H-pyrazol-5-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 157162845) has the molecular formula C88H117ClFN23O2S5 and a molecular weight of 1743.85 g/mol. Its IUPAC name is 5-(2-chloro-4-imidazol-1-ylphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methoxyphenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(2-fluoro-4-imidazol-1-ylphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2-methoxy-4-(1H-pyrazol-5-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

• Compound Name: 5-(2-chloro-4-imidazol-1-ylphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methoxyphenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(2-fluoro-4-imidazol-1-ylphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2-methoxy-4-(1H-pyrazol-5-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine
• PubChem CID: 157162845
• Molecular Formula: C88H117ClFN23O2S5
• Molecular Weight: 1743.85 g/mol
• Exact Mass: 1741.80
• IUPAC Name: 5-(2-chloro-4-imidazol-1-ylphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methoxyphenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(2-fluoro-4-imidazol-1-ylphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2-methoxy-4-(1H-pyrazol-5-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine
• SMILES: CN(c1nnc(-c2ccc(-n3ccnc3)cc2Cl)s1)C1CC(C)(C)NC(C)(C)C1.CN(c1nnc(-c2ccc(-n3ccnc3)cc2F)s1)C1CC(C)(C)NC(C)(C)C1.COc1cc(-c2ccn[nH]2)ccc1-c1nnc(N(C)C2CC(C)(C)NC(C)(C)C2)s1.COc1cc(-c2sc(C)nc2C)ccc1-c1nnc(N(C)C2CC(C)(C)NC(C)(C)C2)s1
• InChI: InChI=1S/C24H33N5OS2.C22H30N6OS.C21H27ClN6S.C21H27FN6S/c1-14-20(31-15(2)25-14)16-9-10-18(19(11-16)30-8)21-26-27-22(32-21)29(7)17-12-23(3,4)28-24(5,6)13-17;1-21(2)12-15(13-22(3,4)27-21)28(5)20-26-25-19(30-20)16-8-7-14(11-18(16)29-6)17-9-10-23-24-17;2*1-20(2)11-15(12-21(3,4)26-20)27(5)19-25-24-18(29-19)16-7-6-14(10-17(16)22)28-9-8-23-13-28/h9-11,17,28H,12-13H2,1-8H3;7-11,15,27H,12-13H2,1-6H3,(H,23,24);2*6-10,13,15,26H,11-12H2,1-5H3
• InChIKey: AMOJWBCSRGOSSY-UHFFFAOYSA-N
• XLogP: 19.11
• TPSA: 259.87 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 29
• Rotatable Bonds: 18
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1743.85
LogP ≤ 5	19.11
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-imidazol-1-ylphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methoxyphenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(2-fluoro-4-imidazol-1-ylphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2-methoxy-4-(1H-pyrazol-5-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine?

The IUPAC name of 5-(2-chloro-4-imidazol-1-ylphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methoxyphenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(2-fluoro-4-imidazol-1-ylphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2-methoxy-4-(1H-pyrazol-5-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine (CID 157162845) is 5-(2-chloro-4-imidazol-1-ylphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methoxyphenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(2-fluoro-4-imidazol-1-ylphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2-methoxy-4-(1H-pyrazol-5-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine.

What is the SMILES notation for 5-(2-chloro-4-imidazol-1-ylphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methoxyphenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(2-fluoro-4-imidazol-1-ylphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2-methoxy-4-(1H-pyrazol-5-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine?

The canonical SMILES for 5-(2-chloro-4-imidazol-1-ylphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methoxyphenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(2-fluoro-4-imidazol-1-ylphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2-methoxy-4-(1H-pyrazol-5-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine is CN(c1nnc(-c2ccc(-n3ccnc3)cc2Cl)s1)C1CC(C)(C)NC(C)(C)C1.CN(c1nnc(-c2ccc(-n3ccnc3)cc2F)s1)C1CC(C)(C)NC(C)(C)C1.COc1cc(-c2ccn[nH]2)ccc1-c1nnc(N(C)C2CC(C)(C)NC(C)(C)C2)s1.COc1cc(-c2sc(C)nc2C)ccc1-c1nnc(N(C)C2CC(C)(C)NC(C)(C)C2)s1.

What is the InChIKey of 5-(2-chloro-4-imidazol-1-ylphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methoxyphenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(2-fluoro-4-imidazol-1-ylphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2-methoxy-4-(1H-pyrazol-5-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine?

The InChIKey is AMOJWBCSRGOSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5OS2.C22H30N6OS.C21H27ClN6S.C21H27FN6S/c1-14-20(31-15(2)25-14)16-9-10-18(19(11-16)30-8)21-26-27-22(32-21)29(7)17-12-23(3,4)28-24(5,6)13-17;1-21(2)12-15(13-22(3,4)27-21)28(5)20-26-25-19(30-20)16-8-7-14(11-18(16)29-6)17-9-10-23-24-17;2*1-20(2)11-15(12-21(3,4)26-20)27(5)19-25-24-18(29-19)16-7-6-14(10-17(16)22)28-9-8-23-13-28/h9-11,17,28H,12-13H2,1-8H3;7-11,15,27H,12-13H2,1-6H3,(H,23,24);2*6-10,13,15,26H,11-12H2,1-5H3.

What are the key properties of 5-(2-chloro-4-imidazol-1-ylphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methoxyphenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(2-fluoro-4-imidazol-1-ylphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2-methoxy-4-(1H-pyrazol-5-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine?

5-(2-chloro-4-imidazol-1-ylphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methoxyphenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(2-fluoro-4-imidazol-1-ylphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2-methoxy-4-(1H-pyrazol-5-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 1743.85 g/mol, XLogP of 19.11, 18 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-chloro-4-imidazol-1-ylphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methoxyphenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(2-fluoro-4-imidazol-1-ylphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2-methoxy-4-(1H-pyrazol-5-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 157162845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).