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;6-hydroxy-5-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-2,3-dihydroinden-1-one;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-(1H-pyrazol-4-yl)phenol

C129H168ClF3N34O7S6 — CID 159093683

IUPAC5-[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;6-hydroxy-5-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-2,3-dihydroinden-1-one;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-(1H-pyrazol-4-yl)phenol
SMILESCN(c1nnc(-c2c(O)cc(-c3cn[nH]c3)c(F)c2F)s1)C1CC(C)(C)NC(C)(C)C1.CN(c1nnc(-c2c(O)cc(-c3cn[nH]c3)cc2F)s1)C1CC(C)(C)NC(C)(C)C1.CN(c1nnc(-c2cc3c(cc2O)C(=O)CC3)s1)C1CC(C)(C)NC(C)(C)C1.CN(c1nnc(-c2ccc(-c3ccc(=O)[nH]c3)cc2Cl)s1)C1CC(C)(C)NC(C)(C)C1.CN(c1nnc(-c2ccc(-c3cn[nH]c3)cc2O)s1)C1CC(C)(C)NC(C)(C)C1.CNc1ccn(-c2ccc(-c3nnc(N(C)C4CC(C)(C)NC(C)(C)C4)s3)c(O)c2)n1
InChIInChI=1S/C23H28ClN5OS.C22H31N7OS.C21H26F2N6OS.C21H27FN6OS.C21H28N6OS.C21H28N4O2S/c1-22(2)11-16(12-23(3,4)28-22)29(5)21-27-26-20(31-21)17-8-6-14(10-18(17)24)15-7-9-19(30)25-13-15;1-21(2)12-15(13-22(3,4)27-21)28(6)20-25-24-19(31-20)16-8-7-14(11-17(16)30)29-10-9-18(23-5)26-29;1-20(2)7-12(8-21(3,4)28-20)29(5)19-27-26-18(31-19)15-14(30)6-13(16(22)17(15)23)11-9-24-25-10-11;1-20(2)8-14(9-21(3,4)27-20)28(5)19-26-25-18(30-19)17-15(22)6-12(7-16(17)29)13-10-23-24-11-13;1-20(2)9-15(10-21(3,4)26-20)27(5)19-25-24-18(29-19)16-7-6-13(8-17(16)28)14-11-22-23-12-14;1-20(2)10-13(11-21(3,4)24-20)25(5)19-23-22-18(28-19)15-8-12-6-7-16(26)14(12)9-17(15)27/h6-10,13,16,28H,11-12H2,1-5H3,(H,25,30);7-11,15,27,30H,12-13H2,1-6H3,(H,23,26);6,9-10,12,28,30H,7-8H2,1-5H3,(H,24,25);6-7,10-11,14,27,29H,8-9H2,1-5H3,(H,23,24);6-8,11-12,15,26,28H,9-10H2,1-5H3,(H,22,23);8-9,13,24,27H,6-7,10-11H2,1-5H3
InChIKeyKCJRZFUGASGTAD-UHFFFAOYSA-N
MW2591.84 g/mol
LogP25.18
Rot. Bonds24

About 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;6-hydroxy-5-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-2,3-dihydroinden-1-one;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-(1H-pyrazol-4-yl)phenol

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;6-hydroxy-5-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-2,3-dihydroinden-1-one;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-(1H-pyrazol-4-yl)phenol (PubChem CID 159093683) has the molecular formula C129H168ClF3N34O7S6 and a molecular weight of 2591.84 g/mol. Its IUPAC name is 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;6-hydroxy-5-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-2,3-dihydroinden-1-one;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-(1H-pyrazol-4-yl)phenol.

Molecular Properties

Compound Name5-[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;6-hydroxy-5-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-2,3-dihydroinden-1-one;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-(1H-pyrazol-4-yl)phenol
PubChem CID159093683
Molecular FormulaC129H168ClF3N34O7S6
Molecular Weight2591.84 g/mol
Exact Mass2589.18
IUPAC Name5-[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;6-hydroxy-5-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-2,3-dihydroinden-1-one;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-(1H-pyrazol-4-yl)phenol
SMILESCN(c1nnc(-c2c(O)cc(-c3cn[nH]c3)c(F)c2F)s1)C1CC(C)(C)NC(C)(C)C1.CN(c1nnc(-c2c(O)cc(-c3cn[nH]c3)cc2F)s1)C1CC(C)(C)NC(C)(C)C1.CN(c1nnc(-c2cc3c(cc2O)C(=O)CC3)s1)C1CC(C)(C)NC(C)(C)C1.CN(c1nnc(-c2ccc(-c3ccc(=O)[nH]c3)cc2Cl)s1)C1CC(C)(C)NC(C)(C)C1.CN(c1nnc(-c2ccc(-c3cn[nH]c3)cc2O)s1)C1CC(C)(C)NC(C)(C)C1.CNc1ccn(-c2ccc(-c3nnc(N(C)C4CC(C)(C)NC(C)(C)C4)s3)c(O)c2)n1
InChIInChI=1S/C23H28ClN5OS.C22H31N7OS.C21H26F2N6OS.C21H27FN6OS.C21H28N6OS.C21H28N4O2S/c1-22(2)11-16(12-23(3,4)28-22)29(5)21-27-26-20(31-21)17-8-6-14(10-18(17)24)15-7-9-19(30)25-13-15;1-21(2)12-15(13-22(3,4)27-21)28(6)20-25-24-19(31-20)16-8-7-14(11-17(16)30)29-10-9-18(23-5)26-29;1-20(2)7-12(8-21(3,4)28-20)29(5)19-27-26-18(31-19)15-14(30)6-13(16(22)17(15)23)11-9-24-25-10-11;1-20(2)8-14(9-21(3,4)27-20)28(5)19-26-25-18(30-19)17-15(22)6-12(7-16(17)29)13-10-23-24-11-13;1-20(2)9-15(10-21(3,4)26-20)27(5)19-25-24-18(29-19)16-7-6-13(8-17(16)28)14-11-22-23-12-14;1-20(2)10-13(11-21(3,4)24-20)25(5)19-23-22-18(28-19)15-8-12-6-7-16(26)14(12)9-17(15)27/h6-10,13,16,28H,11-12H2,1-5H3,(H,25,30);7-11,15,27,30H,12-13H2,1-6H3,(H,23,26);6,9-10,12,28,30H,7-8H2,1-5H3,(H,24,25);6-7,10-11,14,27,29H,8-9H2,1-5H3,(H,23,24);6-8,11-12,15,26,28H,9-10H2,1-5H3,(H,22,23);8-9,13,24,27H,6-7,10-11H2,1-5H3
InChIKeyKCJRZFUGASGTAD-UHFFFAOYSA-N
XLogP25.18
TPSA513.27 Ų
H-Bond Donors16
H-Bond Acceptors43
Rotatable Bonds24
Heavy Atoms180
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002591.84
LogP ≤ 525.18
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1043

Analyze 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;6-hydroxy-5-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-2,3-dihydroinden-1-one;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-(1H-pyrazol-4-yl)phenol with MolForge

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Related Compounds

2-[5-(2,8-diazaspiro[3.5]nonan-2-yl)-1,3,4-thiadiazol-2-yl]-5-(1-methylpyrazol-4-yl)phenol;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;6-hydroxy-5-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-2,3-dihydroinden-1-one;2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(1H-pyrazol-4-yl)phenol
CID 159334282
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 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;6-hydroxy-5-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-2,3-dihydroinden-1-one;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-(1H-pyrazol-4-yl)phenol?
The IUPAC name of 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;6-hydroxy-5-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-2,3-dihydroinden-1-one;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-(1H-pyrazol-4-yl)phenol (CID 159093683) is 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;6-hydroxy-5-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-2,3-dihydroinden-1-one;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-(1H-pyrazol-4-yl)phenol.
What is the SMILES notation for 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;6-hydroxy-5-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-2,3-dihydroinden-1-one;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-(1H-pyrazol-4-yl)phenol?
The canonical SMILES for 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;6-hydroxy-5-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-2,3-dihydroinden-1-one;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-(1H-pyrazol-4-yl)phenol is CN(c1nnc(-c2c(O)cc(-c3cn[nH]c3)c(F)c2F)s1)C1CC(C)(C)NC(C)(C)C1.CN(c1nnc(-c2c(O)cc(-c3cn[nH]c3)cc2F)s1)C1CC(C)(C)NC(C)(C)C1.CN(c1nnc(-c2cc3c(cc2O)C(=O)CC3)s1)C1CC(C)(C)NC(C)(C)C1.CN(c1nnc(-c2ccc(-c3ccc(=O)[nH]c3)cc2Cl)s1)C1CC(C)(C)NC(C)(C)C1.CN(c1nnc(-c2ccc(-c3cn[nH]c3)cc2O)s1)C1CC(C)(C)NC(C)(C)C1.CNc1ccn(-c2ccc(-c3nnc(N(C)C4CC(C)(C)NC(C)(C)C4)s3)c(O)c2)n1.
What is the InChIKey of 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;6-hydroxy-5-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-2,3-dihydroinden-1-one;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-(1H-pyrazol-4-yl)phenol?
The InChIKey is KCJRZFUGASGTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN5OS.C22H31N7OS.C21H26F2N6OS.C21H27FN6OS.C21H28N6OS.C21H28N4O2S/c1-22(2)11-16(12-23(3,4)28-22)29(5)21-27-26-20(31-21)17-8-6-14(10-18(17)24)15-7-9-19(30)25-13-15;1-21(2)12-15(13-22(3,4)27-21)28(6)20-25-24-19(31-20)16-8-7-14(11-17(16)30)29-10-9-18(23-5)26-29;1-20(2)7-12(8-21(3,4)28-20)29(5)19-27-26-18(31-19)15-14(30)6-13(16(22)17(15)23)11-9-24-25-10-11;1-20(2)8-14(9-21(3,4)27-20)28(5)19-26-25-18(30-19)17-15(22)6-12(7-16(17)29)13-10-23-24-11-13;1-20(2)9-15(10-21(3,4)26-20)27(5)19-25-24-18(29-19)16-7-6-13(8-17(16)28)14-11-22-23-12-14;1-20(2)10-13(11-21(3,4)24-20)25(5)19-23-22-18(28-19)15-8-12-6-7-16(26)14(12)9-17(15)27/h6-10,13,16,28H,11-12H2,1-5H3,(H,25,30);7-11,15,27,30H,12-13H2,1-6H3,(H,23,26);6,9-10,12,28,30H,7-8H2,1-5H3,(H,24,25);6-7,10-11,14,27,29H,8-9H2,1-5H3,(H,23,24);6-8,11-12,15,26,28H,9-10H2,1-5H3,(H,22,23);8-9,13,24,27H,6-7,10-11H2,1-5H3.
What are the key properties of 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;6-hydroxy-5-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-2,3-dihydroinden-1-one;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-(1H-pyrazol-4-yl)phenol?
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;6-hydroxy-5-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-2,3-dihydroinden-1-one;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-(1H-pyrazol-4-yl)phenol has a molecular weight of 2591.84 g/mol, XLogP of 25.18, 24 rotatable bonds, 16 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 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;6-hydroxy-5-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-2,3-dihydroinden-1-one;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-(1H-pyrazol-4-yl)phenol is sourced from PubChem (CID 159093683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).