N-(2-methoxy-5-nitrophenyl)-2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetamide

C17H20N4O5S — CID 7529178

IUPACN-(2-methoxy-5-nitrophenyl)-2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H]1SC(N2CCCCC2)=NC1=O
InChIInChI=1S/C17H20N4O5S/c1-26-13-6-5-11(21(24)25)9-12(13)18-15(22)10-14-16(23)19-17(27-14)20-7-3-2-4-8-20/h5-6,9,14H,2-4,7-8,10H2,1H3,(H,18,22)/t14-/m1/s1
InChIKeyLNCWMFWGJMUKRT-CQSZACIVSA-N
MW392.44 g/mol
LogP2.42
Rot. Bonds5

About N-(2-methoxy-5-nitrophenyl)-2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetamide

N-(2-methoxy-5-nitrophenyl)-2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetamide (PubChem CID 7529178) has the molecular formula C17H20N4O5S and a molecular weight of 392.44 g/mol. Its IUPAC name is N-(2-methoxy-5-nitrophenyl)-2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-nitrophenyl)-2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetamide
PubChem CID7529178
Molecular FormulaC17H20N4O5S
Molecular Weight392.44 g/mol
Exact Mass392.12
IUPAC NameN-(2-methoxy-5-nitrophenyl)-2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H]1SC(N2CCCCC2)=NC1=O
InChIInChI=1S/C17H20N4O5S/c1-26-13-6-5-11(21(24)25)9-12(13)18-15(22)10-14-16(23)19-17(27-14)20-7-3-2-4-8-20/h5-6,9,14H,2-4,7-8,10H2,1H3,(H,18,22)/t14-/m1/s1
InChIKeyLNCWMFWGJMUKRT-CQSZACIVSA-N
XLogP2.42
TPSA114.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyphenyl)-2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetamide
CID 8969066
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetamide
CID 30097464
N-(4-methyl-2-nitrophenyl)-2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetamide
CID 17438036
N-(2,5-dimethoxyphenyl)-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 55378431
N-(2,5-dimethoxyphenyl)-2-[(5R)-2-morpholin-4-yl-4-oxo-1,3-thiazol-5-yl]acetamide
CID 9005741
N-(2-methoxy-5-nitrophenyl)-2-(2-piperidin-1-ylanilino)acetamide
CID 4818734
N-naphthalen-1-yl-2-[(5S)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetamide
CID 30097441
N-(3-chloro-2-methylphenyl)-2-[(5S)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetamide
CID 30097413
N-(3-chloro-2-methylphenyl)-2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetamide
CID 30097416
N-(2-methoxy-5-nitrophenyl)cyclohexanecarboxamide
CID 798555
N-(2-methoxy-5-nitrophenyl)pyrrolidine-1-carboxamide
CID 47191407
N-(3-chloro-4-methylphenyl)-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide
CID 42996535

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-nitrophenyl)-2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetamide?
The IUPAC name of N-(2-methoxy-5-nitrophenyl)-2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetamide (CID 7529178) is N-(2-methoxy-5-nitrophenyl)-2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetamide.
What is the SMILES notation for N-(2-methoxy-5-nitrophenyl)-2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetamide?
The canonical SMILES for N-(2-methoxy-5-nitrophenyl)-2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetamide is COc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H]1SC(N2CCCCC2)=NC1=O.
What is the InChIKey of N-(2-methoxy-5-nitrophenyl)-2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetamide?
The InChIKey is LNCWMFWGJMUKRT-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20N4O5S/c1-26-13-6-5-11(21(24)25)9-12(13)18-15(22)10-14-16(23)19-17(27-14)20-7-3-2-4-8-20/h5-6,9,14H,2-4,7-8,10H2,1H3,(H,18,22)/t14-/m1/s1.
What are the key properties of N-(2-methoxy-5-nitrophenyl)-2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetamide?
N-(2-methoxy-5-nitrophenyl)-2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetamide has a molecular weight of 392.44 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-nitrophenyl)-2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 7529178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).