N-(3-nitrophenyl)-2-[(5S)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetamide

C15H16N4O4S — CID 30097397

IUPACN-(3-nitrophenyl)-2-[(5S)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetamide
SMILESO=C(C[C@@H]1SC(N2CCCC2)=NC1=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H16N4O4S/c20-13(16-10-4-3-5-11(8-10)19(22)23)9-12-14(21)17-15(24-12)18-6-1-2-7-18/h3-5,8,12H,1-2,6-7,9H2,(H,16,20)/t12-/m0/s1
InChIKeyXEVNLLPFQGINEX-LBPRGKRZSA-N
MW348.38 g/mol
LogP2.02
Rot. Bonds4

About N-(3-nitrophenyl)-2-[(5S)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetamide

N-(3-nitrophenyl)-2-[(5S)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetamide (PubChem CID 30097397) has the molecular formula C15H16N4O4S and a molecular weight of 348.38 g/mol. Its IUPAC name is N-(3-nitrophenyl)-2-[(5S)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-(3-nitrophenyl)-2-[(5S)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetamide
PubChem CID30097397
Molecular FormulaC15H16N4O4S
Molecular Weight348.38 g/mol
Exact Mass348.09
IUPAC NameN-(3-nitrophenyl)-2-[(5S)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetamide
SMILESO=C(C[C@@H]1SC(N2CCCC2)=NC1=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H16N4O4S/c20-13(16-10-4-3-5-11(8-10)19(22)23)9-12-14(21)17-15(24-12)18-6-1-2-7-18/h3-5,8,12H,1-2,6-7,9H2,(H,16,20)/t12-/m0/s1
InChIKeyXEVNLLPFQGINEX-LBPRGKRZSA-N
XLogP2.02
TPSA104.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[3-(azocane-1-carbonyl)phenyl]-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide
CID 55374570
N-(2-methoxy-5-nitrophenyl)-2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetamide
CID 7529178
N-naphthalen-2-yl-2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetamide
CID 24587710
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
N-(4-methyl-2-nitrophenyl)-2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetamide
CID 17438036
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
2-[(5R)-2-(diaminomethylideneamino)-4-oxo-1,3-thiazol-5-yl]-N-(3-nitrophenyl)acetamide
CID 28559465
3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N-prop-2-enylbenzamide
CID 46531753
N-(4-chlorophenyl)-3-[[2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide
CID 40972701
N-butyl-N-ethyl-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 46549672

Frequently Asked Questions

What is the IUPAC name of N-(3-nitrophenyl)-2-[(5S)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetamide?
The IUPAC name of N-(3-nitrophenyl)-2-[(5S)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetamide (CID 30097397) is N-(3-nitrophenyl)-2-[(5S)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetamide.
What is the SMILES notation for N-(3-nitrophenyl)-2-[(5S)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetamide?
The canonical SMILES for N-(3-nitrophenyl)-2-[(5S)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetamide is O=C(C[C@@H]1SC(N2CCCC2)=NC1=O)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(3-nitrophenyl)-2-[(5S)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetamide?
The InChIKey is XEVNLLPFQGINEX-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H16N4O4S/c20-13(16-10-4-3-5-11(8-10)19(22)23)9-12-14(21)17-15(24-12)18-6-1-2-7-18/h3-5,8,12H,1-2,6-7,9H2,(H,16,20)/t12-/m0/s1.
What are the key properties of N-(3-nitrophenyl)-2-[(5S)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetamide?
N-(3-nitrophenyl)-2-[(5S)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetamide has a molecular weight of 348.38 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-nitrophenyl)-2-[(5S)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 30097397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).