5-(2-chloro-4-pyrazol-1-ylphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2-chloro-4-(triazol-1-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2,3-difluoro-6-methoxy-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;6-methoxy-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-3,4-dihydro-2H-naphthalen-1-one

C86H113Cl2F2N23O3S4 — CID 161309273

IUPAC5-(2-chloro-4-pyrazol-1-ylphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2-chloro-4-(triazol-1-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2,3-difluoro-6-methoxy-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;6-methoxy-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-3,4-dihydro-2H-naphthalen-1-one
SMILESCN(c1nnc(-c2ccc(-n3cccn3)cc2Cl)s1)C1CC(C)(C)NC(C)(C)C1.CN(c1nnc(-c2ccc(-n3ccnn3)cc2Cl)s1)C1CC(C)(C)NC(C)(C)C1.COc1cc(-c2cn[nH]c2)c(F)c(F)c1-c1nnc(N(C)C2CC(C)(C)NC(C)(C)C2)s1.COc1ccc2c(c1)CCC(c1nnc(N(C)C3CC(C)(C)NC(C)(C)C3)s1)C2=O
InChIInChI=1S/C23H32N4O2S.C22H28F2N6OS.C21H27ClN6S.C20H26ClN7S/c1-22(2)12-15(13-23(3,4)26-22)27(5)21-25-24-20(30-21)18-9-7-14-11-16(29-6)8-10-17(14)19(18)28;1-21(2)8-13(9-22(3,4)29-21)30(5)20-28-27-19(32-20)16-15(31-6)7-14(17(23)18(16)24)12-10-25-26-11-12;1-20(2)12-15(13-21(3,4)26-20)27(5)19-25-24-18(29-19)16-8-7-14(11-17(16)22)28-10-6-9-23-28;1-19(2)11-14(12-20(3,4)25-19)27(5)18-24-23-17(29-18)15-7-6-13(10-16(15)21)28-9-8-22-26-28/h8,10-11,15,18,26H,7,9,12-13H2,1-6H3;7,10-11,13,29H,8-9H2,1-6H3,(H,25,26);6-11,15,26H,12-13H2,1-5H3;6-10,14,25H,11-12H2,1-5H3
InChIKeyVIRBFHHLZNYKAU-UHFFFAOYSA-N
MW1754.18 g/mol
LogP17.81
Rot. Bonds17

About 5-(2-chloro-4-pyrazol-1-ylphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2-chloro-4-(triazol-1-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2,3-difluoro-6-methoxy-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;6-methoxy-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-3,4-dihydro-2H-naphthalen-1-one

5-(2-chloro-4-pyrazol-1-ylphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2-chloro-4-(triazol-1-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2,3-difluoro-6-methoxy-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;6-methoxy-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 161309273) has the molecular formula C86H113Cl2F2N23O3S4 and a molecular weight of 1754.18 g/mol. Its IUPAC name is 5-(2-chloro-4-pyrazol-1-ylphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2-chloro-4-(triazol-1-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2,3-difluoro-6-methoxy-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;6-methoxy-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name5-(2-chloro-4-pyrazol-1-ylphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2-chloro-4-(triazol-1-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2,3-difluoro-6-methoxy-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;6-methoxy-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID161309273
Molecular FormulaC86H113Cl2F2N23O3S4
Molecular Weight1754.18 g/mol
Exact Mass1751.76
IUPAC Name5-(2-chloro-4-pyrazol-1-ylphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2-chloro-4-(triazol-1-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2,3-difluoro-6-methoxy-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;6-methoxy-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-3,4-dihydro-2H-naphthalen-1-one
SMILESCN(c1nnc(-c2ccc(-n3cccn3)cc2Cl)s1)C1CC(C)(C)NC(C)(C)C1.CN(c1nnc(-c2ccc(-n3ccnn3)cc2Cl)s1)C1CC(C)(C)NC(C)(C)C1.COc1cc(-c2cn[nH]c2)c(F)c(F)c1-c1nnc(N(C)C2CC(C)(C)NC(C)(C)C2)s1.COc1ccc2c(c1)CCC(c1nnc(N(C)C3CC(C)(C)NC(C)(C)C3)s1)C2=O
InChIInChI=1S/C23H32N4O2S.C22H28F2N6OS.C21H27ClN6S.C20H26ClN7S/c1-22(2)12-15(13-23(3,4)26-22)27(5)21-25-24-20(30-21)18-9-7-14-11-16(29-6)8-10-17(14)19(18)28;1-21(2)8-13(9-22(3,4)29-21)30(5)20-28-27-19(32-20)16-15(31-6)7-14(17(23)18(16)24)12-10-25-26-11-12;1-20(2)12-15(13-21(3,4)26-20)27(5)19-25-24-18(29-19)16-8-7-14(11-17(16)22)28-10-6-9-23-28;1-19(2)11-14(12-20(3,4)25-19)27(5)18-24-23-17(29-18)15-7-6-13(10-16(15)21)28-9-8-22-26-28/h8,10-11,15,18,26H,7,9,12-13H2,1-6H3;7,10-11,13,29H,8-9H2,1-6H3,(H,25,26);6-11,15,26H,12-13H2,1-5H3;6-10,14,25H,11-12H2,1-5H3
InChIKeyVIRBFHHLZNYKAU-UHFFFAOYSA-N
XLogP17.81
TPSA276.94 Ų
H-Bond Donors5
H-Bond Acceptors29
Rotatable Bonds17
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001754.18
LogP ≤ 517.81
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1029

Analyze 5-(2-chloro-4-pyrazol-1-ylphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2-chloro-4-(triazol-1-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2,3-difluoro-6-methoxy-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;6-methoxy-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-3,4-dihydro-2H-naphthalen-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-pyrazol-1-ylphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2-chloro-4-(triazol-1-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2,3-difluoro-6-methoxy-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;6-methoxy-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 5-(2-chloro-4-pyrazol-1-ylphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2-chloro-4-(triazol-1-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2,3-difluoro-6-methoxy-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;6-methoxy-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-3,4-dihydro-2H-naphthalen-1-one (CID 161309273) is 5-(2-chloro-4-pyrazol-1-ylphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2-chloro-4-(triazol-1-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2,3-difluoro-6-methoxy-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;6-methoxy-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 5-(2-chloro-4-pyrazol-1-ylphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2-chloro-4-(triazol-1-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2,3-difluoro-6-methoxy-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;6-methoxy-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 5-(2-chloro-4-pyrazol-1-ylphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2-chloro-4-(triazol-1-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2,3-difluoro-6-methoxy-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;6-methoxy-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-3,4-dihydro-2H-naphthalen-1-one is CN(c1nnc(-c2ccc(-n3cccn3)cc2Cl)s1)C1CC(C)(C)NC(C)(C)C1.CN(c1nnc(-c2ccc(-n3ccnn3)cc2Cl)s1)C1CC(C)(C)NC(C)(C)C1.COc1cc(-c2cn[nH]c2)c(F)c(F)c1-c1nnc(N(C)C2CC(C)(C)NC(C)(C)C2)s1.COc1ccc2c(c1)CCC(c1nnc(N(C)C3CC(C)(C)NC(C)(C)C3)s1)C2=O.
What is the InChIKey of 5-(2-chloro-4-pyrazol-1-ylphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2-chloro-4-(triazol-1-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2,3-difluoro-6-methoxy-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;6-methoxy-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is VIRBFHHLZNYKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2S.C22H28F2N6OS.C21H27ClN6S.C20H26ClN7S/c1-22(2)12-15(13-23(3,4)26-22)27(5)21-25-24-20(30-21)18-9-7-14-11-16(29-6)8-10-17(14)19(18)28;1-21(2)8-13(9-22(3,4)29-21)30(5)20-28-27-19(32-20)16-15(31-6)7-14(17(23)18(16)24)12-10-25-26-11-12;1-20(2)12-15(13-21(3,4)26-20)27(5)19-25-24-18(29-19)16-8-7-14(11-17(16)22)28-10-6-9-23-28;1-19(2)11-14(12-20(3,4)25-19)27(5)18-24-23-17(29-18)15-7-6-13(10-16(15)21)28-9-8-22-26-28/h8,10-11,15,18,26H,7,9,12-13H2,1-6H3;7,10-11,13,29H,8-9H2,1-6H3,(H,25,26);6-11,15,26H,12-13H2,1-5H3;6-10,14,25H,11-12H2,1-5H3.
What are the key properties of 5-(2-chloro-4-pyrazol-1-ylphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2-chloro-4-(triazol-1-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2,3-difluoro-6-methoxy-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;6-methoxy-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-3,4-dihydro-2H-naphthalen-1-one?
5-(2-chloro-4-pyrazol-1-ylphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2-chloro-4-(triazol-1-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2,3-difluoro-6-methoxy-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;6-methoxy-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 1754.18 g/mol, XLogP of 17.81, 17 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4-pyrazol-1-ylphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2-chloro-4-(triazol-1-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2,3-difluoro-6-methoxy-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;6-methoxy-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 161309273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).