3-chloro-5-(1-methylpyrazol-4-yl)-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenol;5-[2-chloro-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-4-pyrazol-1-ylphenol;3-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-1H-quinolin-2-one

C86H113Cl2N23O3S4 — CID 162067540

IUPAC3-chloro-5-(1-methylpyrazol-4-yl)-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenol;5-[2-chloro-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-4-pyrazol-1-ylphenol;3-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-1H-quinolin-2-one
SMILESCN(c1nnc(-c2c(O)cc(-c3cnn(C)c3)cc2Cl)s1)C1CC(C)(C)NC(C)(C)C1.CN(c1nnc(-c2cc(-n3cccn3)ccc2O)s1)C1CC(C)(C)NC(C)(C)C1.CN(c1nnc(-c2cc3ccccc3[nH]c2=O)s1)C1CC(C)(C)NC(C)(C)C1.CN(c1nnc(-c2ccc(-c3cnn(C)c3)cc2Cl)s1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C22H29ClN6OS.C22H29ClN6S.C21H28N6OS.C21H27N5OS/c1-21(2)9-15(10-22(3,4)27-21)29(6)20-26-25-19(31-20)18-16(23)7-13(8-17(18)30)14-11-24-28(5)12-14;1-21(2)10-16(11-22(3,4)27-21)29(6)20-26-25-19(30-20)17-8-7-14(9-18(17)23)15-12-24-28(5)13-15;1-20(2)12-15(13-21(3,4)25-20)26(5)19-24-23-18(29-19)16-11-14(7-8-17(16)28)27-10-6-9-22-27;1-20(2)11-14(12-21(3,4)25-20)26(5)19-24-23-18(28-19)15-10-13-8-6-7-9-16(13)22-17(15)27/h7-8,11-12,15,27,30H,9-10H2,1-6H3;7-9,12-13,16,27H,10-11H2,1-6H3;6-11,15,25,28H,12-13H2,1-5H3;6-10,14,25H,11-12H2,1-5H3,(H,22,27)
InChIKeyZAQOLUDEXWLVMU-UHFFFAOYSA-N
MW1716.18 g/mol
LogP17.35
Rot. Bonds15

About 3-chloro-5-(1-methylpyrazol-4-yl)-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenol;5-[2-chloro-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-4-pyrazol-1-ylphenol;3-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-1H-quinolin-2-one

3-chloro-5-(1-methylpyrazol-4-yl)-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenol;5-[2-chloro-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-4-pyrazol-1-ylphenol;3-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-1H-quinolin-2-one (PubChem CID 162067540) has the molecular formula C86H113Cl2N23O3S4 and a molecular weight of 1716.18 g/mol. Its IUPAC name is 3-chloro-5-(1-methylpyrazol-4-yl)-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenol;5-[2-chloro-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-4-pyrazol-1-ylphenol;3-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-chloro-5-(1-methylpyrazol-4-yl)-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenol;5-[2-chloro-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-4-pyrazol-1-ylphenol;3-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-1H-quinolin-2-one
PubChem CID162067540
Molecular FormulaC86H113Cl2N23O3S4
Molecular Weight1716.18 g/mol
Exact Mass1713.77
IUPAC Name3-chloro-5-(1-methylpyrazol-4-yl)-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenol;5-[2-chloro-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-4-pyrazol-1-ylphenol;3-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-1H-quinolin-2-one
SMILESCN(c1nnc(-c2c(O)cc(-c3cnn(C)c3)cc2Cl)s1)C1CC(C)(C)NC(C)(C)C1.CN(c1nnc(-c2cc(-n3cccn3)ccc2O)s1)C1CC(C)(C)NC(C)(C)C1.CN(c1nnc(-c2cc3ccccc3[nH]c2=O)s1)C1CC(C)(C)NC(C)(C)C1.CN(c1nnc(-c2ccc(-c3cnn(C)c3)cc2Cl)s1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C22H29ClN6OS.C22H29ClN6S.C21H28N6OS.C21H27N5OS/c1-21(2)9-15(10-22(3,4)27-21)29(6)20-26-25-19(31-20)18-16(23)7-13(8-17(18)30)14-11-24-28(5)12-14;1-21(2)10-16(11-22(3,4)27-21)29(6)20-26-25-19(30-20)17-8-7-14(9-18(17)23)15-12-24-28(5)13-15;1-20(2)12-15(13-21(3,4)25-20)26(5)19-24-23-18(29-19)16-11-14(7-8-17(16)28)27-10-6-9-22-27;1-20(2)11-14(12-21(3,4)25-20)26(5)19-24-23-18(28-19)15-10-13-8-6-7-9-16(13)22-17(15)27/h7-8,11-12,15,27,30H,9-10H2,1-6H3;7-9,12-13,16,27H,10-11H2,1-6H3;6-11,15,25,28H,12-13H2,1-5H3;6-10,14,25H,11-12H2,1-5H3,(H,22,27)
InChIKeyZAQOLUDEXWLVMU-UHFFFAOYSA-N
XLogP17.35
TPSA290.98 Ų
H-Bond Donors7
H-Bond Acceptors29
Rotatable Bonds15
Heavy Atoms118
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001716.18
LogP ≤ 517.35
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1029

Analyze 3-chloro-5-(1-methylpyrazol-4-yl)-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenol;5-[2-chloro-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-4-pyrazol-1-ylphenol;3-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-1H-quinolin-2-one with MolForge

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Related Compounds

3-[5-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1,3,4-thiadiazol-2-yl]naphthalene-2,7-diol;5-[2-chloro-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[3-hydroxy-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-1H-pyridin-2-one;3-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]naphthalene-2,7-diol;3-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]naphthalen-2-ol;2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-4-pyrazol-1-ylphenol;3-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-1H-quinolin-2-one
CID 158055349
3-[5-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]thiophen-2-yl]naphthalene-2,7-diol;5-[2-chloro-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;3-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]naphthalen-2-ol;2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-4-pyrazol-1-ylphenol;3-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-1H-quinolin-2-one
CID 159148987
4-[3-Hydroxy-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-1-methylpyridin-2-one;5-[3-hydroxy-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-1-methylpyridin-2-one;5-(1-methylpyrazol-4-yl)-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenol;2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-5-pyrazol-1-ylphenol
CID 161065957
5-[3-chloro-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-1H-pyridin-2-one;3-fluoro-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(1H-pyrazol-4-yl)phenol;5-[3-(methylamino)pyrazol-1-yl]-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenol;2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-5-pyrazol-1-ylphenol
CID 161927376
5-[3-chloro-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-1H-pyridin-2-one;3,4-difluoro-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(1H-pyrazol-4-yl)phenol;3-fluoro-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(1H-pyrazol-4-yl)phenol;5-[3-(methylamino)pyrazol-1-yl]-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenol
CID 162215672

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(1-methylpyrazol-4-yl)-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenol;5-[2-chloro-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-4-pyrazol-1-ylphenol;3-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-1H-quinolin-2-one?
The IUPAC name of 3-chloro-5-(1-methylpyrazol-4-yl)-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenol;5-[2-chloro-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-4-pyrazol-1-ylphenol;3-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-1H-quinolin-2-one (CID 162067540) is 3-chloro-5-(1-methylpyrazol-4-yl)-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenol;5-[2-chloro-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-4-pyrazol-1-ylphenol;3-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-1H-quinolin-2-one.
What is the SMILES notation for 3-chloro-5-(1-methylpyrazol-4-yl)-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenol;5-[2-chloro-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-4-pyrazol-1-ylphenol;3-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-1H-quinolin-2-one?
The canonical SMILES for 3-chloro-5-(1-methylpyrazol-4-yl)-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenol;5-[2-chloro-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-4-pyrazol-1-ylphenol;3-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-1H-quinolin-2-one is CN(c1nnc(-c2c(O)cc(-c3cnn(C)c3)cc2Cl)s1)C1CC(C)(C)NC(C)(C)C1.CN(c1nnc(-c2cc(-n3cccn3)ccc2O)s1)C1CC(C)(C)NC(C)(C)C1.CN(c1nnc(-c2cc3ccccc3[nH]c2=O)s1)C1CC(C)(C)NC(C)(C)C1.CN(c1nnc(-c2ccc(-c3cnn(C)c3)cc2Cl)s1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 3-chloro-5-(1-methylpyrazol-4-yl)-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenol;5-[2-chloro-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-4-pyrazol-1-ylphenol;3-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-1H-quinolin-2-one?
The InChIKey is ZAQOLUDEXWLVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN6OS.C22H29ClN6S.C21H28N6OS.C21H27N5OS/c1-21(2)9-15(10-22(3,4)27-21)29(6)20-26-25-19(31-20)18-16(23)7-13(8-17(18)30)14-11-24-28(5)12-14;1-21(2)10-16(11-22(3,4)27-21)29(6)20-26-25-19(30-20)17-8-7-14(9-18(17)23)15-12-24-28(5)13-15;1-20(2)12-15(13-21(3,4)25-20)26(5)19-24-23-18(29-19)16-11-14(7-8-17(16)28)27-10-6-9-22-27;1-20(2)11-14(12-21(3,4)25-20)26(5)19-24-23-18(28-19)15-10-13-8-6-7-9-16(13)22-17(15)27/h7-8,11-12,15,27,30H,9-10H2,1-6H3;7-9,12-13,16,27H,10-11H2,1-6H3;6-11,15,25,28H,12-13H2,1-5H3;6-10,14,25H,11-12H2,1-5H3,(H,22,27).
What are the key properties of 3-chloro-5-(1-methylpyrazol-4-yl)-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenol;5-[2-chloro-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-4-pyrazol-1-ylphenol;3-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-1H-quinolin-2-one?
3-chloro-5-(1-methylpyrazol-4-yl)-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenol;5-[2-chloro-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-4-pyrazol-1-ylphenol;3-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-1H-quinolin-2-one has a molecular weight of 1716.18 g/mol, XLogP of 17.35, 15 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(1-methylpyrazol-4-yl)-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenol;5-[2-chloro-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-4-pyrazol-1-ylphenol;3-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-1H-quinolin-2-one is sourced from PubChem (CID 162067540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).