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

C25H33N5OS — CID 146292403

IUPAC1-methyl-4-[3-methyl-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]pyridin-2-one
SMILESCc1cc(-c2ccn(C)c(=O)c2)ccc1-c1nnc(N(C)C2CC(C)(C)NC(C)(C)C2)s1
InChIInChI=1S/C25H33N5OS/c1-16-12-17(18-10-11-29(6)21(31)13-18)8-9-20(16)22-26-27-23(32-22)30(7)19-14-24(2,3)28-25(4,5)15-19/h8-13,19,28H,14-15H2,1-7H3
InChIKeyKBTSYPUIKYNSTK-UHFFFAOYSA-N
MW451.64 g/mol
LogP4.62
Rot. Bonds4

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

1-methyl-4-[3-methyl-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]pyridin-2-one (PubChem CID 146292403) has the molecular formula C25H33N5OS and a molecular weight of 451.64 g/mol. Its IUPAC name is 1-methyl-4-[3-methyl-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-4-[3-methyl-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]pyridin-2-one
PubChem CID146292403
Molecular FormulaC25H33N5OS
Molecular Weight451.64 g/mol
Exact Mass451.24
IUPAC Name1-methyl-4-[3-methyl-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]pyridin-2-one
SMILESCc1cc(-c2ccn(C)c(=O)c2)ccc1-c1nnc(N(C)C2CC(C)(C)NC(C)(C)C2)s1
InChIInChI=1S/C25H33N5OS/c1-16-12-17(18-10-11-29(6)21(31)13-18)8-9-20(16)22-26-27-23(32-22)30(7)19-14-24(2,3)28-25(4,5)15-19/h8-13,19,28H,14-15H2,1-7H3
InChIKeyKBTSYPUIKYNSTK-UHFFFAOYSA-N
XLogP4.62
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.64
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-methyl-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]pyridin-2-one?
The IUPAC name of 1-methyl-4-[3-methyl-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]pyridin-2-one (CID 146292403) is 1-methyl-4-[3-methyl-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]pyridin-2-one.
What is the SMILES notation for 1-methyl-4-[3-methyl-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]pyridin-2-one?
The canonical SMILES for 1-methyl-4-[3-methyl-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]pyridin-2-one is Cc1cc(-c2ccn(C)c(=O)c2)ccc1-c1nnc(N(C)C2CC(C)(C)NC(C)(C)C2)s1.
What is the InChIKey of 1-methyl-4-[3-methyl-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]pyridin-2-one?
The InChIKey is KBTSYPUIKYNSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5OS/c1-16-12-17(18-10-11-29(6)21(31)13-18)8-9-20(16)22-26-27-23(32-22)30(7)19-14-24(2,3)28-25(4,5)15-19/h8-13,19,28H,14-15H2,1-7H3.
What are the key properties of 1-methyl-4-[3-methyl-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]pyridin-2-one?
1-methyl-4-[3-methyl-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]pyridin-2-one has a molecular weight of 451.64 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-methyl-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]pyridin-2-one is sourced from PubChem (CID 146292403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).