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

C24H31N5O2S — CID 172845812

IUPAC5-[3-methoxy-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-1-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-1H-pyridin-2-one
SMILESCOc1cccc(-c2ccc(=O)[nH]c2)c1-c1nnc(N(C)N2C(C)(C)CCCC2(C)C)s1
InChIInChI=1S/C24H31N5O2S/c1-23(2)13-8-14-24(3,4)29(23)28(5)22-27-26-21(32-22)20-17(9-7-10-18(20)31-6)16-11-12-19(30)25-15-16/h7,9-12,15H,8,13-14H2,1-6H3,(H,25,30)
InChIKeyXKCYWFNUYNGOKG-UHFFFAOYSA-N
MW453.61 g/mol
LogP4.96
Rot. Bonds5

About 5-[3-methoxy-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-1-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-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]-1H-pyridin-2-one (PubChem CID 172845812) has the molecular formula C24H31N5O2S and a molecular weight of 453.61 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]-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]-1H-pyridin-2-one
PubChem CID172845812
Molecular FormulaC24H31N5O2S
Molecular Weight453.61 g/mol
Exact Mass453.22
IUPAC Name5-[3-methoxy-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-1-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-1H-pyridin-2-one
SMILESCOc1cccc(-c2ccc(=O)[nH]c2)c1-c1nnc(N(C)N2C(C)(C)CCCC2(C)C)s1
InChIInChI=1S/C24H31N5O2S/c1-23(2)13-8-14-24(3,4)29(23)28(5)22-27-26-21(32-22)20-17(9-7-10-18(20)31-6)16-11-12-19(30)25-15-16/h7,9-12,15H,8,13-14H2,1-6H3,(H,25,30)
InChIKeyXKCYWFNUYNGOKG-UHFFFAOYSA-N
XLogP4.96
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.61
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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]-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]-1H-pyridin-2-one (CID 172845812) is 5-[3-methoxy-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-1-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-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]-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]-1H-pyridin-2-one is COc1cccc(-c2ccc(=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]-1H-pyridin-2-one?
The InChIKey is XKCYWFNUYNGOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2S/c1-23(2)13-8-14-24(3,4)29(23)28(5)22-27-26-21(32-22)20-17(9-7-10-18(20)31-6)16-11-12-19(30)25-15-16/h7,9-12,15H,8,13-14H2,1-6H3,(H,25,30).
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]-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]-1H-pyridin-2-one has a molecular weight of 453.61 g/mol, XLogP of 4.96, 5 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]-1H-pyridin-2-one is sourced from PubChem (CID 172845812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).