3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide

C19H21F3N4O3S — CID 43021146

IUPAC3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(CC1SC(N2CCCCC2)=NC1=O)Nc1cccc(C(=O)NCC(F)(F)F)c1
InChIInChI=1S/C19H21F3N4O3S/c20-19(21,22)11-23-16(28)12-5-4-6-13(9-12)24-15(27)10-14-17(29)25-18(30-14)26-7-2-1-3-8-26/h4-6,9,14H,1-3,7-8,10-11H2,(H,23,28)(H,24,27)
InChIKeyFDYMMLOZWFYEDE-UHFFFAOYSA-N
MW442.46 g/mol
LogP2.79
Rot. Bonds5

About 3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide

3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 43021146) has the molecular formula C19H21F3N4O3S and a molecular weight of 442.46 g/mol. Its IUPAC name is 3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID43021146
Molecular FormulaC19H21F3N4O3S
Molecular Weight442.46 g/mol
Exact Mass442.13
IUPAC Name3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(CC1SC(N2CCCCC2)=NC1=O)Nc1cccc(C(=O)NCC(F)(F)F)c1
InChIInChI=1S/C19H21F3N4O3S/c20-19(21,22)11-23-16(28)12-5-4-6-13(9-12)24-15(27)10-14-17(29)25-18(30-14)26-7-2-1-3-8-26/h4-6,9,14H,1-3,7-8,10-11H2,(H,23,28)(H,24,27)
InChIKeyFDYMMLOZWFYEDE-UHFFFAOYSA-N
XLogP2.79
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.46
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N-prop-2-enylbenzamide
CID 46531753
N-cycloheptyl-3-[[2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide
CID 41203800
N-cyclohexyl-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 46601666
N-[3-(azocane-1-carbonyl)phenyl]-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide
CID 55374570
N-(4-chlorophenyl)-3-[[2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide
CID 40972701
N-[3-(azetidine-1-carbonyl)phenyl]-2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetamide
CID 7874464
N-[3-(azetidine-1-carbonyl)phenyl]-2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetamide
CID 7874466
3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N-(2-phenylpropyl)benzamide
CID 46531740
3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N-(2-pyridin-2-ylethyl)benzamide
CID 45354482
N-[(4-methoxyphenyl)methyl]-3-[[2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide
CID 40855465
2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)-N-[3-[(pyrimidin-2-ylamino)carbamoyl]phenyl]acetamide
CID 55565452
N-(4-ethylphenyl)-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 46531785

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide (CID 43021146) is 3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide is O=C(CC1SC(N2CCCCC2)=NC1=O)Nc1cccc(C(=O)NCC(F)(F)F)c1.
What is the InChIKey of 3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is FDYMMLOZWFYEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O3S/c20-19(21,22)11-23-16(28)12-5-4-6-13(9-12)24-15(27)10-14-17(29)25-18(30-14)26-7-2-1-3-8-26/h4-6,9,14H,1-3,7-8,10-11H2,(H,23,28)(H,24,27).
What are the key properties of 3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 442.46 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 43021146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).