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

C23H32N4O3S — CID 56530406

IUPAC4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N,N-di(propan-2-yl)benzamide
SMILESCC(C)N(C(=O)c1ccc(NC(=O)CC2SC(N3CCCCC3)=NC2=O)cc1)C(C)C
InChIInChI=1S/C23H32N4O3S/c1-15(2)27(16(3)4)22(30)17-8-10-18(11-9-17)24-20(28)14-19-21(29)25-23(31-19)26-12-6-5-7-13-26/h8-11,15-16,19H,5-7,12-14H2,1-4H3,(H,24,28)
InChIKeyDHJDJUOZAQYRFD-UHFFFAOYSA-N
MW444.60 g/mol
LogP3.76
Rot. Bonds6

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

4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N,N-di(propan-2-yl)benzamide (PubChem CID 56530406) has the molecular formula C23H32N4O3S and a molecular weight of 444.60 g/mol. Its IUPAC name is 4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N,N-di(propan-2-yl)benzamide.

Molecular Properties

Compound Name4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N,N-di(propan-2-yl)benzamide
PubChem CID56530406
Molecular FormulaC23H32N4O3S
Molecular Weight444.60 g/mol
Exact Mass444.22
IUPAC Name4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N,N-di(propan-2-yl)benzamide
SMILESCC(C)N(C(=O)c1ccc(NC(=O)CC2SC(N3CCCCC3)=NC2=O)cc1)C(C)C
InChIInChI=1S/C23H32N4O3S/c1-15(2)27(16(3)4)22(30)17-8-10-18(11-9-17)24-20(28)14-19-21(29)25-23(31-19)26-12-6-5-7-13-26/h8-11,15-16,19H,5-7,12-14H2,1-4H3,(H,24,28)
InChIKeyDHJDJUOZAQYRFD-UHFFFAOYSA-N
XLogP3.76
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.60
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]-N,N-dipropylbenzamide
CID 39963574
N,N-bis(2-methoxyethyl)-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 55378379
N-methyl-4-[[2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide
CID 7612288
N-[(2R)-butan-2-yl]-4-[[2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide
CID 9441013
N-ethyl-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 24982889
N-[2-(diethylamino)ethyl]-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 55378354
N-[4-(azetidine-1-carbonyl)phenyl]-2-[(5S)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetamide
CID 7612301
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 55652998
[(1S)-1-cyanoethyl] 4-[[2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzoate
CID 8600881
N-(2-methylsulfanylphenyl)-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 55528966
N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetamide
CID 16573575
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 55513300

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N,N-di(propan-2-yl)benzamide?
The IUPAC name of 4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N,N-di(propan-2-yl)benzamide (CID 56530406) is 4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N,N-di(propan-2-yl)benzamide.
What is the SMILES notation for 4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N,N-di(propan-2-yl)benzamide?
The canonical SMILES for 4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N,N-di(propan-2-yl)benzamide is CC(C)N(C(=O)c1ccc(NC(=O)CC2SC(N3CCCCC3)=NC2=O)cc1)C(C)C.
What is the InChIKey of 4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N,N-di(propan-2-yl)benzamide?
The InChIKey is DHJDJUOZAQYRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3S/c1-15(2)27(16(3)4)22(30)17-8-10-18(11-9-17)24-20(28)14-19-21(29)25-23(31-19)26-12-6-5-7-13-26/h8-11,15-16,19H,5-7,12-14H2,1-4H3,(H,24,28).
What are the key properties of 4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N,N-di(propan-2-yl)benzamide?
4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N,N-di(propan-2-yl)benzamide has a molecular weight of 444.60 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N,N-di(propan-2-yl)benzamide is sourced from PubChem (CID 56530406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).