N-[4-[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]benzamide

C21H28N4O2S — CID 41483674

IUPACN-[4-[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]benzamide
SMILESCC1(C)CC(NC(=O)Cc2csc(NC(=O)c3ccccc3)n2)CC(C)(C)N1
InChIInChI=1S/C21H28N4O2S/c1-20(2)11-16(12-21(3,4)25-20)22-17(26)10-15-13-28-19(23-15)24-18(27)14-8-6-5-7-9-14/h5-9,13,16,25H,10-12H2,1-4H3,(H,22,26)(H,23,24,27)
InChIKeyCYDKWVWROZWMJI-UHFFFAOYSA-N
MW400.55 g/mol
LogP3.36
Rot. Bonds5

About N-[4-[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]benzamide

N-[4-[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 41483674) has the molecular formula C21H28N4O2S and a molecular weight of 400.55 g/mol. Its IUPAC name is N-[4-[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]benzamide
PubChem CID41483674
Molecular FormulaC21H28N4O2S
Molecular Weight400.55 g/mol
Exact Mass400.19
IUPAC NameN-[4-[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]benzamide
SMILESCC1(C)CC(NC(=O)Cc2csc(NC(=O)c3ccccc3)n2)CC(C)(C)N1
InChIInChI=1S/C21H28N4O2S/c1-20(2)11-16(12-21(3,4)25-20)22-17(26)10-15-13-28-19(23-15)24-18(27)14-8-6-5-7-9-14/h5-9,13,16,25H,10-12H2,1-4H3,(H,22,26)(H,23,24,27)
InChIKeyCYDKWVWROZWMJI-UHFFFAOYSA-N
XLogP3.36
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.55
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[4-[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]benzamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-[4-[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]benzamide (CID 41483674) is N-[4-[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-[4-[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-[4-[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]benzamide is CC1(C)CC(NC(=O)Cc2csc(NC(=O)c3ccccc3)n2)CC(C)(C)N1.
What is the InChIKey of N-[4-[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is CYDKWVWROZWMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2S/c1-20(2)11-16(12-21(3,4)25-20)22-17(26)10-15-13-28-19(23-15)24-18(27)14-8-6-5-7-9-14/h5-9,13,16,25H,10-12H2,1-4H3,(H,22,26)(H,23,24,27).
What are the key properties of N-[4-[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]benzamide?
N-[4-[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 400.55 g/mol, XLogP of 3.36, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 41483674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).