2-[5-(2-azaspiro[3.5]nonan-2-yl)-1,3,4-thiadiazol-2-yl]-5-(1-methylpyrazol-4-yl)phenol;2-[5-(2,8-diazaspiro[3.5]nonan-2-yl)-1,3,4-thiadiazol-2-yl]-5-(1-methylpyrazol-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

C81H101N21O5S4 — CID 158669309

IUPAC2-[5-(2-azaspiro[3.5]nonan-2-yl)-1,3,4-thiadiazol-2-yl]-5-(1-methylpyrazol-4-yl)phenol;2-[5-(2,8-diazaspiro[3.5]nonan-2-yl)-1,3,4-thiadiazol-2-yl]-5-(1-methylpyrazol-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
SMILESCN(c1nnc(-c2cc3c(cc2O)C(=O)CC3)s1)C1CC(C)(C)NC(C)(C)C1.CN(c1nnc(-c2ccc(-c3cn[nH]c3)cc2O)s1)C1CC(C)(C)NC(C)(C)C1.Cn1cc(-c2ccc(-c3nnc(N4CC5(CCCCC5)C4)s3)c(O)c2)cn1.Cn1cc(-c2ccc(-c3nnc(N4CC5(CCCNC5)C4)s3)c(O)c2)cn1
InChIInChI=1S/C21H28N6OS.C21H28N4O2S.C20H23N5OS.C19H22N6OS/c1-20(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;1-24-11-15(10-21-24)14-5-6-16(17(26)9-14)18-22-23-19(27-18)25-12-20(13-25)7-3-2-4-8-20;1-24-9-14(8-21-24)13-3-4-15(16(26)7-13)17-22-23-18(27-17)25-11-19(12-25)5-2-6-20-10-19/h6-8,11-12,15,26,28H,9-10H2,1-5H3,(H,22,23);8-9,13,24,27H,6-7,10-11H2,1-5H3;5-6,9-11,26H,2-4,7-8,12-13H2,1H3;3-4,7-9,20,26H,2,5-6,10-12H2,1H3
InChIKeyIDTDYUNANHNPPX-UHFFFAOYSA-N
MW1577.11 g/mol
LogP14.41
Rot. Bonds13

About 2-[5-(2-azaspiro[3.5]nonan-2-yl)-1,3,4-thiadiazol-2-yl]-5-(1-methylpyrazol-4-yl)phenol;2-[5-(2,8-diazaspiro[3.5]nonan-2-yl)-1,3,4-thiadiazol-2-yl]-5-(1-methylpyrazol-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

2-[5-(2-azaspiro[3.5]nonan-2-yl)-1,3,4-thiadiazol-2-yl]-5-(1-methylpyrazol-4-yl)phenol;2-[5-(2,8-diazaspiro[3.5]nonan-2-yl)-1,3,4-thiadiazol-2-yl]-5-(1-methylpyrazol-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 (PubChem CID 158669309) has the molecular formula C81H101N21O5S4 and a molecular weight of 1577.11 g/mol. Its IUPAC name is 2-[5-(2-azaspiro[3.5]nonan-2-yl)-1,3,4-thiadiazol-2-yl]-5-(1-methylpyrazol-4-yl)phenol;2-[5-(2,8-diazaspiro[3.5]nonan-2-yl)-1,3,4-thiadiazol-2-yl]-5-(1-methylpyrazol-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.

Molecular Properties

Compound Name2-[5-(2-azaspiro[3.5]nonan-2-yl)-1,3,4-thiadiazol-2-yl]-5-(1-methylpyrazol-4-yl)phenol;2-[5-(2,8-diazaspiro[3.5]nonan-2-yl)-1,3,4-thiadiazol-2-yl]-5-(1-methylpyrazol-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
PubChem CID158669309
Molecular FormulaC81H101N21O5S4
Molecular Weight1577.11 g/mol
Exact Mass1575.72
IUPAC Name2-[5-(2-azaspiro[3.5]nonan-2-yl)-1,3,4-thiadiazol-2-yl]-5-(1-methylpyrazol-4-yl)phenol;2-[5-(2,8-diazaspiro[3.5]nonan-2-yl)-1,3,4-thiadiazol-2-yl]-5-(1-methylpyrazol-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
SMILESCN(c1nnc(-c2cc3c(cc2O)C(=O)CC3)s1)C1CC(C)(C)NC(C)(C)C1.CN(c1nnc(-c2ccc(-c3cn[nH]c3)cc2O)s1)C1CC(C)(C)NC(C)(C)C1.Cn1cc(-c2ccc(-c3nnc(N4CC5(CCCCC5)C4)s3)c(O)c2)cn1.Cn1cc(-c2ccc(-c3nnc(N4CC5(CCCNC5)C4)s3)c(O)c2)cn1
InChIInChI=1S/C21H28N6OS.C21H28N4O2S.C20H23N5OS.C19H22N6OS/c1-20(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;1-24-11-15(10-21-24)14-5-6-16(17(26)9-14)18-22-23-19(27-18)25-12-20(13-25)7-3-2-4-8-20;1-24-9-14(8-21-24)13-3-4-15(16(26)7-13)17-22-23-18(27-17)25-11-19(12-25)5-2-6-20-10-19/h6-8,11-12,15,26,28H,9-10H2,1-5H3,(H,22,23);8-9,13,24,27H,6-7,10-11H2,1-5H3;5-6,9-11,26H,2-4,7-8,12-13H2,1H3;3-4,7-9,20,26H,2,5-6,10-12H2,1H3
InChIKeyIDTDYUNANHNPPX-UHFFFAOYSA-N
XLogP14.41
TPSA314.48 Ų
H-Bond Donors8
H-Bond Acceptors29
Rotatable Bonds13
Heavy Atoms111
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001577.11
LogP ≤ 514.41
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1029

Analyze 2-[5-(2-azaspiro[3.5]nonan-2-yl)-1,3,4-thiadiazol-2-yl]-5-(1-methylpyrazol-4-yl)phenol;2-[5-(2,8-diazaspiro[3.5]nonan-2-yl)-1,3,4-thiadiazol-2-yl]-5-(1-methylpyrazol-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-azaspiro[3.5]nonan-2-yl)-1,3,4-thiadiazol-2-yl]-5-(1-methylpyrazol-4-yl)phenol;2-[5-(2,8-diazaspiro[3.5]nonan-2-yl)-1,3,4-thiadiazol-2-yl]-5-(1-methylpyrazol-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?
The IUPAC name of 2-[5-(2-azaspiro[3.5]nonan-2-yl)-1,3,4-thiadiazol-2-yl]-5-(1-methylpyrazol-4-yl)phenol;2-[5-(2,8-diazaspiro[3.5]nonan-2-yl)-1,3,4-thiadiazol-2-yl]-5-(1-methylpyrazol-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 158669309) is 2-[5-(2-azaspiro[3.5]nonan-2-yl)-1,3,4-thiadiazol-2-yl]-5-(1-methylpyrazol-4-yl)phenol;2-[5-(2,8-diazaspiro[3.5]nonan-2-yl)-1,3,4-thiadiazol-2-yl]-5-(1-methylpyrazol-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.
What is the SMILES notation for 2-[5-(2-azaspiro[3.5]nonan-2-yl)-1,3,4-thiadiazol-2-yl]-5-(1-methylpyrazol-4-yl)phenol;2-[5-(2,8-diazaspiro[3.5]nonan-2-yl)-1,3,4-thiadiazol-2-yl]-5-(1-methylpyrazol-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?
The canonical SMILES for 2-[5-(2-azaspiro[3.5]nonan-2-yl)-1,3,4-thiadiazol-2-yl]-5-(1-methylpyrazol-4-yl)phenol;2-[5-(2,8-diazaspiro[3.5]nonan-2-yl)-1,3,4-thiadiazol-2-yl]-5-(1-methylpyrazol-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 is CN(c1nnc(-c2cc3c(cc2O)C(=O)CC3)s1)C1CC(C)(C)NC(C)(C)C1.CN(c1nnc(-c2ccc(-c3cn[nH]c3)cc2O)s1)C1CC(C)(C)NC(C)(C)C1.Cn1cc(-c2ccc(-c3nnc(N4CC5(CCCCC5)C4)s3)c(O)c2)cn1.Cn1cc(-c2ccc(-c3nnc(N4CC5(CCCNC5)C4)s3)c(O)c2)cn1.
What is the InChIKey of 2-[5-(2-azaspiro[3.5]nonan-2-yl)-1,3,4-thiadiazol-2-yl]-5-(1-methylpyrazol-4-yl)phenol;2-[5-(2,8-diazaspiro[3.5]nonan-2-yl)-1,3,4-thiadiazol-2-yl]-5-(1-methylpyrazol-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?
The InChIKey is IDTDYUNANHNPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6OS.C21H28N4O2S.C20H23N5OS.C19H22N6OS/c1-20(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;1-24-11-15(10-21-24)14-5-6-16(17(26)9-14)18-22-23-19(27-18)25-12-20(13-25)7-3-2-4-8-20;1-24-9-14(8-21-24)13-3-4-15(16(26)7-13)17-22-23-18(27-17)25-11-19(12-25)5-2-6-20-10-19/h6-8,11-12,15,26,28H,9-10H2,1-5H3,(H,22,23);8-9,13,24,27H,6-7,10-11H2,1-5H3;5-6,9-11,26H,2-4,7-8,12-13H2,1H3;3-4,7-9,20,26H,2,5-6,10-12H2,1H3.
What are the key properties of 2-[5-(2-azaspiro[3.5]nonan-2-yl)-1,3,4-thiadiazol-2-yl]-5-(1-methylpyrazol-4-yl)phenol;2-[5-(2,8-diazaspiro[3.5]nonan-2-yl)-1,3,4-thiadiazol-2-yl]-5-(1-methylpyrazol-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?
2-[5-(2-azaspiro[3.5]nonan-2-yl)-1,3,4-thiadiazol-2-yl]-5-(1-methylpyrazol-4-yl)phenol;2-[5-(2,8-diazaspiro[3.5]nonan-2-yl)-1,3,4-thiadiazol-2-yl]-5-(1-methylpyrazol-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 has a molecular weight of 1577.11 g/mol, XLogP of 14.41, 13 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-azaspiro[3.5]nonan-2-yl)-1,3,4-thiadiazol-2-yl]-5-(1-methylpyrazol-4-yl)phenol;2-[5-(2,8-diazaspiro[3.5]nonan-2-yl)-1,3,4-thiadiazol-2-yl]-5-(1-methylpyrazol-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 is sourced from PubChem (CID 158669309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).