1-(2-methylphenyl)-N-(5-nitro-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide

C15H14N4O4S — CID 17080712

IUPAC1-(2-methylphenyl)-N-(5-nitro-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccccc1N1CC(C(=O)Nc2ncc([N+](=O)[O-])s2)CC1=O
InChIInChI=1S/C15H14N4O4S/c1-9-4-2-3-5-11(9)18-8-10(6-12(18)20)14(21)17-15-16-7-13(24-15)19(22)23/h2-5,7,10H,6,8H2,1H3,(H,16,17,21)
InChIKeyXKZHZVFJWYXGKV-UHFFFAOYSA-N
MW346.37 g/mol
LogP2.35
Rot. Bonds4

About 1-(2-methylphenyl)-N-(5-nitro-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide

1-(2-methylphenyl)-N-(5-nitro-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 17080712) has the molecular formula C15H14N4O4S and a molecular weight of 346.37 g/mol. Its IUPAC name is 1-(2-methylphenyl)-N-(5-nitro-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methylphenyl)-N-(5-nitro-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID17080712
Molecular FormulaC15H14N4O4S
Molecular Weight346.37 g/mol
Exact Mass346.07
IUPAC Name1-(2-methylphenyl)-N-(5-nitro-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccccc1N1CC(C(=O)Nc2ncc([N+](=O)[O-])s2)CC1=O
InChIInChI=1S/C15H14N4O4S/c1-9-4-2-3-5-11(9)18-8-10(6-12(18)20)14(21)17-15-16-7-13(24-15)19(22)23/h2-5,7,10H,6,8H2,1H3,(H,16,17,21)
InChIKeyXKZHZVFJWYXGKV-UHFFFAOYSA-N
XLogP2.35
TPSA105.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 52.35
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

(3R)-1-(4-methylphenyl)-N-(5-nitro-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 7462526
(3S)-N-(5-nitro-1,3-thiazol-2-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 9401012
(3R)-N-(1,3-benzothiazol-2-yl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7438143
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 6463897
1-(2-chlorophenyl)-N-(2-methyl-6-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 18885890
(3S)-N-(6-methyl-1,3-benzothiazol-2-yl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9351076
(3S)-N-(4-acetamidophenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1090575
1-(3-chloro-2-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 18525235
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17080771
(3S)-1-(2-methylphenyl)-5-oxo-N-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 9351117
(2S)-2-[[5-[[(3R)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate
CID 7483371
(3S)-N-(2-bromophenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9351107

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-N-(5-nitro-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-methylphenyl)-N-(5-nitro-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide (CID 17080712) is 1-(2-methylphenyl)-N-(5-nitro-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-methylphenyl)-N-(5-nitro-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-methylphenyl)-N-(5-nitro-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide is Cc1ccccc1N1CC(C(=O)Nc2ncc([N+](=O)[O-])s2)CC1=O.
What is the InChIKey of 1-(2-methylphenyl)-N-(5-nitro-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is XKZHZVFJWYXGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O4S/c1-9-4-2-3-5-11(9)18-8-10(6-12(18)20)14(21)17-15-16-7-13(24-15)19(22)23/h2-5,7,10H,6,8H2,1H3,(H,16,17,21).
What are the key properties of 1-(2-methylphenyl)-N-(5-nitro-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
1-(2-methylphenyl)-N-(5-nitro-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 346.37 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-N-(5-nitro-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 17080712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).