5-[[3-methoxy-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-1-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]methyl]-1H-pyridin-2-one

C25H33N5O2S — CID 172695603

IUPAC5-[[3-methoxy-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-1-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]methyl]-1H-pyridin-2-one
SMILESCOc1cccc(Cc2ccc(=O)[nH]c2)c1-c1nnc(N(C)N2C(C)(C)CCCC2(C)C)s1
InChIInChI=1S/C25H33N5O2S/c1-24(2)13-8-14-25(3,4)30(24)29(5)23-28-27-22(33-23)21-18(9-7-10-19(21)32-6)15-17-11-12-20(31)26-16-17/h7,9-12,16H,8,13-15H2,1-6H3,(H,26,31)
InChIKeyCGXQFPMTVJLGHM-UHFFFAOYSA-N
MW467.64 g/mol
LogP4.89
Rot. Bonds6

About 5-[[3-methoxy-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-1-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]methyl]-1H-pyridin-2-one

5-[[3-methoxy-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-1-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]methyl]-1H-pyridin-2-one (PubChem CID 172695603) has the molecular formula C25H33N5O2S and a molecular weight of 467.64 g/mol. Its IUPAC name is 5-[[3-methoxy-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-1-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[[3-methoxy-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-1-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]methyl]-1H-pyridin-2-one
PubChem CID172695603
Molecular FormulaC25H33N5O2S
Molecular Weight467.64 g/mol
Exact Mass467.24
IUPAC Name5-[[3-methoxy-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-1-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]methyl]-1H-pyridin-2-one
SMILESCOc1cccc(Cc2ccc(=O)[nH]c2)c1-c1nnc(N(C)N2C(C)(C)CCCC2(C)C)s1
InChIInChI=1S/C25H33N5O2S/c1-24(2)13-8-14-25(3,4)30(24)29(5)23-28-27-22(33-23)21-18(9-7-10-19(21)32-6)15-17-11-12-20(31)26-16-17/h7,9-12,16H,8,13-15H2,1-6H3,(H,26,31)
InChIKeyCGXQFPMTVJLGHM-UHFFFAOYSA-N
XLogP4.89
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.64
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[[3-methoxy-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-1-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]methyl]-1H-pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-methoxy-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-1-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]methyl]-1H-pyridin-2-one?
The IUPAC name of 5-[[3-methoxy-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-1-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]methyl]-1H-pyridin-2-one (CID 172695603) is 5-[[3-methoxy-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-1-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]methyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[[3-methoxy-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-1-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]methyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[[3-methoxy-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-1-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]methyl]-1H-pyridin-2-one is COc1cccc(Cc2ccc(=O)[nH]c2)c1-c1nnc(N(C)N2C(C)(C)CCCC2(C)C)s1.
What is the InChIKey of 5-[[3-methoxy-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-1-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]methyl]-1H-pyridin-2-one?
The InChIKey is CGXQFPMTVJLGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O2S/c1-24(2)13-8-14-25(3,4)30(24)29(5)23-28-27-22(33-23)21-18(9-7-10-19(21)32-6)15-17-11-12-20(31)26-16-17/h7,9-12,16H,8,13-15H2,1-6H3,(H,26,31).
What are the key properties of 5-[[3-methoxy-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-1-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]methyl]-1H-pyridin-2-one?
5-[[3-methoxy-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-1-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]methyl]-1H-pyridin-2-one has a molecular weight of 467.64 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-methoxy-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-1-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]methyl]-1H-pyridin-2-one is sourced from PubChem (CID 172695603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).