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

C20H24N4O3S — CID 46531753

IUPAC3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1cccc(NC(=O)CC2SC(N3CCCCC3)=NC2=O)c1
InChIInChI=1S/C20H24N4O3S/c1-2-9-21-18(26)14-7-6-8-15(12-14)22-17(25)13-16-19(27)23-20(28-16)24-10-4-3-5-11-24/h2,6-8,12,16H,1,3-5,9-11,13H2,(H,21,26)(H,22,25)
InChIKeySHTXLBBSOAJJQE-UHFFFAOYSA-N
MW400.50 g/mol
LogP2.41
Rot. Bonds6

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

3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N-prop-2-enylbenzamide (PubChem CID 46531753) has the molecular formula C20H24N4O3S and a molecular weight of 400.50 g/mol. Its IUPAC name is 3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N-prop-2-enylbenzamide
PubChem CID46531753
Molecular FormulaC20H24N4O3S
Molecular Weight400.50 g/mol
Exact Mass400.16
IUPAC Name3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1cccc(NC(=O)CC2SC(N3CCCCC3)=NC2=O)c1
InChIInChI=1S/C20H24N4O3S/c1-2-9-21-18(26)14-7-6-8-15(12-14)22-17(25)13-16-19(27)23-20(28-16)24-10-4-3-5-11-24/h2,6-8,12,16H,1,3-5,9-11,13H2,(H,21,26)(H,22,25)
InChIKeySHTXLBBSOAJJQE-UHFFFAOYSA-N
XLogP2.41
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 43021146
N-(4-chlorophenyl)-3-[[2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide
CID 40972701
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-(4-ethylphenyl)-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 46531785
N-[3-(azocane-1-carbonyl)phenyl]-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide
CID 55374570
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

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-prop-2-enylbenzamide?
The IUPAC name of 3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N-prop-2-enylbenzamide (CID 46531753) is 3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N-prop-2-enylbenzamide.
What is the SMILES notation for 3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N-prop-2-enylbenzamide?
The canonical SMILES for 3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N-prop-2-enylbenzamide is C=CCNC(=O)c1cccc(NC(=O)CC2SC(N3CCCCC3)=NC2=O)c1.
What is the InChIKey of 3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N-prop-2-enylbenzamide?
The InChIKey is SHTXLBBSOAJJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S/c1-2-9-21-18(26)14-7-6-8-15(12-14)22-17(25)13-16-19(27)23-20(28-16)24-10-4-3-5-11-24/h2,6-8,12,16H,1,3-5,9-11,13H2,(H,21,26)(H,22,25).
What are the key properties of 3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N-prop-2-enylbenzamide?
3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N-prop-2-enylbenzamide has a molecular weight of 400.50 g/mol, XLogP of 2.41, 6 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-prop-2-enylbenzamide is sourced from PubChem (CID 46531753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).