5-[4-(6-amino-3-pyridinyl)-2-fluorophenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2-chloro-4-(6-methoxy-3-pyridinyl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;2-[2-chloro-4-(1-methylpyrazol-4-yl)phenyl]-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,4-thiadiazole;5-[2-fluoro-4-(5-methyl-2H-pyrrol-3-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine

C91H115Cl2F2N21O2S4 — CID 157130148

IUPAC5-[4-(6-amino-3-pyridinyl)-2-fluorophenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2-chloro-4-(6-methoxy-3-pyridinyl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;2-[2-chloro-4-(1-methylpyrazol-4-yl)phenyl]-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,4-thiadiazole;5-[2-fluoro-4-(5-methyl-2H-pyrrol-3-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine
SMILESCC1=NCC(c2ccc(-c3nnc(N(C)C4CC(C)(C)NC(C)(C)C4)s3)c(F)c2)=C1.CN(c1nnc(-c2ccc(-c3ccc(N)nc3)cc2F)s1)C1CC(C)(C)NC(C)(C)C1.COc1ccc(-c2ccc(-c3nnc(N(C)C4CC(C)(C)NC(C)(C)C4)s3)c(Cl)c2)cn1.Cn1cc(-c2ccc(-c3nnc(OC4CC(C)(C)NC(C)(C)C4)s3)c(Cl)c2)cn1
InChIInChI=1S/C24H30ClN5OS.C23H29FN6S.C23H30FN5S.C21H26ClN5OS/c1-23(2)12-17(13-24(3,4)29-23)30(5)22-28-27-21(32-22)18-9-7-15(11-19(18)25)16-8-10-20(31-6)26-14-16;1-22(2)11-16(12-23(3,4)29-22)30(5)21-28-27-20(31-21)17-8-6-14(10-18(17)24)15-7-9-19(25)26-13-15;1-14-9-16(13-25-14)15-7-8-18(19(24)10-15)20-26-27-21(30-20)29(6)17-11-22(2,3)28-23(4,5)12-17;1-20(2)9-15(10-21(3,4)26-20)28-19-25-24-18(29-19)16-7-6-13(8-17(16)22)14-11-23-27(5)12-14/h7-11,14,17,29H,12-13H2,1-6H3;6-10,13,16,29H,11-12H2,1-5H3,(H2,25,26);7-10,17,28H,11-13H2,1-6H3;6-8,11-12,15,26H,9-10H2,1-5H3
InChIKeyAIYZINJHUMUALC-UHFFFAOYSA-N
MW1772.24 g/mol
LogP20.30
Rot. Bonds17

About 5-[4-(6-amino-3-pyridinyl)-2-fluorophenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2-chloro-4-(6-methoxy-3-pyridinyl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;2-[2-chloro-4-(1-methylpyrazol-4-yl)phenyl]-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,4-thiadiazole;5-[2-fluoro-4-(5-methyl-2H-pyrrol-3-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine

5-[4-(6-amino-3-pyridinyl)-2-fluorophenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2-chloro-4-(6-methoxy-3-pyridinyl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;2-[2-chloro-4-(1-methylpyrazol-4-yl)phenyl]-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,4-thiadiazole;5-[2-fluoro-4-(5-methyl-2H-pyrrol-3-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 157130148) has the molecular formula C91H115Cl2F2N21O2S4 and a molecular weight of 1772.24 g/mol. Its IUPAC name is 5-[4-(6-amino-3-pyridinyl)-2-fluorophenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2-chloro-4-(6-methoxy-3-pyridinyl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;2-[2-chloro-4-(1-methylpyrazol-4-yl)phenyl]-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,4-thiadiazole;5-[2-fluoro-4-(5-methyl-2H-pyrrol-3-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[4-(6-amino-3-pyridinyl)-2-fluorophenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2-chloro-4-(6-methoxy-3-pyridinyl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;2-[2-chloro-4-(1-methylpyrazol-4-yl)phenyl]-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,4-thiadiazole;5-[2-fluoro-4-(5-methyl-2H-pyrrol-3-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine
PubChem CID157130148
Molecular FormulaC91H115Cl2F2N21O2S4
Molecular Weight1772.24 g/mol
Exact Mass1769.78
IUPAC Name5-[4-(6-amino-3-pyridinyl)-2-fluorophenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2-chloro-4-(6-methoxy-3-pyridinyl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;2-[2-chloro-4-(1-methylpyrazol-4-yl)phenyl]-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,4-thiadiazole;5-[2-fluoro-4-(5-methyl-2H-pyrrol-3-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine
SMILESCC1=NCC(c2ccc(-c3nnc(N(C)C4CC(C)(C)NC(C)(C)C4)s3)c(F)c2)=C1.CN(c1nnc(-c2ccc(-c3ccc(N)nc3)cc2F)s1)C1CC(C)(C)NC(C)(C)C1.COc1ccc(-c2ccc(-c3nnc(N(C)C4CC(C)(C)NC(C)(C)C4)s3)c(Cl)c2)cn1.Cn1cc(-c2ccc(-c3nnc(OC4CC(C)(C)NC(C)(C)C4)s3)c(Cl)c2)cn1
InChIInChI=1S/C24H30ClN5OS.C23H29FN6S.C23H30FN5S.C21H26ClN5OS/c1-23(2)12-17(13-24(3,4)29-23)30(5)22-28-27-21(32-22)18-9-7-15(11-19(18)25)16-8-10-20(31-6)26-14-16;1-22(2)11-16(12-23(3,4)29-22)30(5)21-28-27-20(31-21)17-8-6-14(10-18(17)24)15-7-9-19(25)26-13-15;1-14-9-16(13-25-14)15-7-8-18(19(24)10-15)20-26-27-21(30-20)29(6)17-11-22(2,3)28-23(4,5)12-17;1-20(2)9-15(10-21(3,4)26-20)28-19-25-24-18(29-19)16-7-6-13(8-17(16)22)14-11-23-27(5)12-14/h7-11,14,17,29H,12-13H2,1-6H3;6-10,13,16,29H,11-12H2,1-5H3,(H2,25,26);7-10,17,28H,11-13H2,1-6H3;6-8,11-12,15,26H,9-10H2,1-5H3
InChIKeyAIYZINJHUMUALC-UHFFFAOYSA-N
XLogP20.30
TPSA261.40 Ų
H-Bond Donors5
H-Bond Acceptors27
Rotatable Bonds17
Heavy Atoms122
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001772.24
LogP ≤ 520.30
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1027

Analyze 5-[4-(6-amino-3-pyridinyl)-2-fluorophenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2-chloro-4-(6-methoxy-3-pyridinyl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;2-[2-chloro-4-(1-methylpyrazol-4-yl)phenyl]-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,4-thiadiazole;5-[2-fluoro-4-(5-methyl-2H-pyrrol-3-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(6-amino-3-pyridinyl)-2-fluorophenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2-chloro-4-(6-methoxy-3-pyridinyl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;2-[2-chloro-4-(1-methylpyrazol-4-yl)phenyl]-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,4-thiadiazole;5-[2-fluoro-4-(5-methyl-2H-pyrrol-3-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[4-(6-amino-3-pyridinyl)-2-fluorophenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2-chloro-4-(6-methoxy-3-pyridinyl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;2-[2-chloro-4-(1-methylpyrazol-4-yl)phenyl]-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,4-thiadiazole;5-[2-fluoro-4-(5-methyl-2H-pyrrol-3-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine (CID 157130148) is 5-[4-(6-amino-3-pyridinyl)-2-fluorophenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2-chloro-4-(6-methoxy-3-pyridinyl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;2-[2-chloro-4-(1-methylpyrazol-4-yl)phenyl]-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,4-thiadiazole;5-[2-fluoro-4-(5-methyl-2H-pyrrol-3-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-[4-(6-amino-3-pyridinyl)-2-fluorophenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2-chloro-4-(6-methoxy-3-pyridinyl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;2-[2-chloro-4-(1-methylpyrazol-4-yl)phenyl]-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,4-thiadiazole;5-[2-fluoro-4-(5-methyl-2H-pyrrol-3-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[4-(6-amino-3-pyridinyl)-2-fluorophenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2-chloro-4-(6-methoxy-3-pyridinyl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;2-[2-chloro-4-(1-methylpyrazol-4-yl)phenyl]-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,4-thiadiazole;5-[2-fluoro-4-(5-methyl-2H-pyrrol-3-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine is CC1=NCC(c2ccc(-c3nnc(N(C)C4CC(C)(C)NC(C)(C)C4)s3)c(F)c2)=C1.CN(c1nnc(-c2ccc(-c3ccc(N)nc3)cc2F)s1)C1CC(C)(C)NC(C)(C)C1.COc1ccc(-c2ccc(-c3nnc(N(C)C4CC(C)(C)NC(C)(C)C4)s3)c(Cl)c2)cn1.Cn1cc(-c2ccc(-c3nnc(OC4CC(C)(C)NC(C)(C)C4)s3)c(Cl)c2)cn1.
What is the InChIKey of 5-[4-(6-amino-3-pyridinyl)-2-fluorophenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2-chloro-4-(6-methoxy-3-pyridinyl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;2-[2-chloro-4-(1-methylpyrazol-4-yl)phenyl]-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,4-thiadiazole;5-[2-fluoro-4-(5-methyl-2H-pyrrol-3-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is AIYZINJHUMUALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN5OS.C23H29FN6S.C23H30FN5S.C21H26ClN5OS/c1-23(2)12-17(13-24(3,4)29-23)30(5)22-28-27-21(32-22)18-9-7-15(11-19(18)25)16-8-10-20(31-6)26-14-16;1-22(2)11-16(12-23(3,4)29-22)30(5)21-28-27-20(31-21)17-8-6-14(10-18(17)24)15-7-9-19(25)26-13-15;1-14-9-16(13-25-14)15-7-8-18(19(24)10-15)20-26-27-21(30-20)29(6)17-11-22(2,3)28-23(4,5)12-17;1-20(2)9-15(10-21(3,4)26-20)28-19-25-24-18(29-19)16-7-6-13(8-17(16)22)14-11-23-27(5)12-14/h7-11,14,17,29H,12-13H2,1-6H3;6-10,13,16,29H,11-12H2,1-5H3,(H2,25,26);7-10,17,28H,11-13H2,1-6H3;6-8,11-12,15,26H,9-10H2,1-5H3.
What are the key properties of 5-[4-(6-amino-3-pyridinyl)-2-fluorophenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2-chloro-4-(6-methoxy-3-pyridinyl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;2-[2-chloro-4-(1-methylpyrazol-4-yl)phenyl]-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,4-thiadiazole;5-[2-fluoro-4-(5-methyl-2H-pyrrol-3-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine?
5-[4-(6-amino-3-pyridinyl)-2-fluorophenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2-chloro-4-(6-methoxy-3-pyridinyl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;2-[2-chloro-4-(1-methylpyrazol-4-yl)phenyl]-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,4-thiadiazole;5-[2-fluoro-4-(5-methyl-2H-pyrrol-3-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 1772.24 g/mol, XLogP of 20.30, 17 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(6-amino-3-pyridinyl)-2-fluorophenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2-chloro-4-(6-methoxy-3-pyridinyl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;2-[2-chloro-4-(1-methylpyrazol-4-yl)phenyl]-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,4-thiadiazole;5-[2-fluoro-4-(5-methyl-2H-pyrrol-3-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 157130148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).