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

C16H18N4O4S — CID 17438036

IUPACN-(4-methyl-2-nitrophenyl)-2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetamide
SMILESCc1ccc(NC(=O)CC2SC(N3CCCC3)=NC2=O)c([N+](=O)[O-])c1
InChIInChI=1S/C16H18N4O4S/c1-10-4-5-11(12(8-10)20(23)24)17-14(21)9-13-15(22)18-16(25-13)19-6-2-3-7-19/h4-5,8,13H,2-3,6-7,9H2,1H3,(H,17,21)
InChIKeyQGAQBZXPMRSUQF-UHFFFAOYSA-N
MW362.41 g/mol
LogP2.33
Rot. Bonds4

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

N-(4-methyl-2-nitrophenyl)-2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetamide (PubChem CID 17438036) has the molecular formula C16H18N4O4S and a molecular weight of 362.41 g/mol. Its IUPAC name is N-(4-methyl-2-nitrophenyl)-2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(4-methyl-2-nitrophenyl)-2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetamide
PubChem CID17438036
Molecular FormulaC16H18N4O4S
Molecular Weight362.41 g/mol
Exact Mass362.10
IUPAC NameN-(4-methyl-2-nitrophenyl)-2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetamide
SMILESCc1ccc(NC(=O)CC2SC(N3CCCC3)=NC2=O)c([N+](=O)[O-])c1
InChIInChI=1S/C16H18N4O4S/c1-10-4-5-11(12(8-10)20(23)24)17-14(21)9-13-15(22)18-16(25-13)19-6-2-3-7-19/h4-5,8,13H,2-3,6-7,9H2,1H3,(H,17,21)
InChIKeyQGAQBZXPMRSUQF-UHFFFAOYSA-N
XLogP2.33
TPSA104.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 52.33
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-(2-methoxy-5-nitrophenyl)-2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetamide
CID 7529178
N-(3-nitrophenyl)-2-[(5S)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetamide
CID 30097397
N-(3-chloro-2-methylphenyl)-2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetamide
CID 30097416
N-(3-chloro-2-methylphenyl)-2-[(5S)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetamide
CID 30097413
N-naphthalen-1-yl-2-[(5S)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetamide
CID 30097441
N-(3-chloro-4-methylphenyl)-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide
CID 42996535
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
(3R,6S)-6-[2-(4-methyl-2-nitroanilino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylic acid
CID 7858448
(3R,6R)-6-[2-(4-methyl-2-nitroanilino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylic acid
CID 7858446
N-hydroxy-2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetamide
CID 71601399
2-[(5S)-2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methyl-2-nitrophenyl)acetamide
CID 135673147

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-nitrophenyl)-2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-(4-methyl-2-nitrophenyl)-2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetamide (CID 17438036) is N-(4-methyl-2-nitrophenyl)-2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-(4-methyl-2-nitrophenyl)-2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-(4-methyl-2-nitrophenyl)-2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetamide is Cc1ccc(NC(=O)CC2SC(N3CCCC3)=NC2=O)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-methyl-2-nitrophenyl)-2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetamide?
The InChIKey is QGAQBZXPMRSUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4S/c1-10-4-5-11(12(8-10)20(23)24)17-14(21)9-13-15(22)18-16(25-13)19-6-2-3-7-19/h4-5,8,13H,2-3,6-7,9H2,1H3,(H,17,21).
What are the key properties of N-(4-methyl-2-nitrophenyl)-2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetamide?
N-(4-methyl-2-nitrophenyl)-2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetamide has a molecular weight of 362.41 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-nitrophenyl)-2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 17438036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).