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

C24H31N5O2S — CID 172770572

IUPAC4-[[3-hydroxy-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-1-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]methyl]-1H-pyridin-2-one
SMILESCN(c1nnc(-c2c(O)cccc2Cc2cc[nH]c(=O)c2)s1)N1C(C)(C)CCCC1(C)C
InChIInChI=1S/C24H31N5O2S/c1-23(2)11-7-12-24(3,4)29(23)28(5)22-27-26-21(32-22)20-17(8-6-9-18(20)30)14-16-10-13-25-19(31)15-16/h6,8-10,13,15,30H,7,11-12,14H2,1-5H3,(H,25,31)
InChIKeyMWYCRLCQPBESSJ-UHFFFAOYSA-N
MW453.61 g/mol
LogP4.58
Rot. Bonds5

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

4-[[3-hydroxy-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 172770572) has the molecular formula C24H31N5O2S and a molecular weight of 453.61 g/mol. Its IUPAC name is 4-[[3-hydroxy-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 Name4-[[3-hydroxy-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-1-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]methyl]-1H-pyridin-2-one
PubChem CID172770572
Molecular FormulaC24H31N5O2S
Molecular Weight453.61 g/mol
Exact Mass453.22
IUPAC Name4-[[3-hydroxy-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-1-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]methyl]-1H-pyridin-2-one
SMILESCN(c1nnc(-c2c(O)cccc2Cc2cc[nH]c(=O)c2)s1)N1C(C)(C)CCCC1(C)C
InChIInChI=1S/C24H31N5O2S/c1-23(2)11-7-12-24(3,4)29(23)28(5)22-27-26-21(32-22)20-17(8-6-9-18(20)30)14-16-10-13-25-19(31)15-16/h6,8-10,13,15,30H,7,11-12,14H2,1-5H3,(H,25,31)
InChIKeyMWYCRLCQPBESSJ-UHFFFAOYSA-N
XLogP4.58
TPSA85.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.61
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-hydroxy-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 4-[[3-hydroxy-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-1-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]methyl]-1H-pyridin-2-one (CID 172770572) is 4-[[3-hydroxy-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 4-[[3-hydroxy-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 4-[[3-hydroxy-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-1-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]methyl]-1H-pyridin-2-one is CN(c1nnc(-c2c(O)cccc2Cc2cc[nH]c(=O)c2)s1)N1C(C)(C)CCCC1(C)C.
What is the InChIKey of 4-[[3-hydroxy-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 MWYCRLCQPBESSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2S/c1-23(2)11-7-12-24(3,4)29(23)28(5)22-27-26-21(32-22)20-17(8-6-9-18(20)30)14-16-10-13-25-19(31)15-16/h6,8-10,13,15,30H,7,11-12,14H2,1-5H3,(H,25,31).
What are the key properties of 4-[[3-hydroxy-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-1-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]methyl]-1H-pyridin-2-one?
4-[[3-hydroxy-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 453.61 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-hydroxy-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 172770572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).