(3R)-1-(4-methylphenyl)-N-(5-nitro-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide

C15H14N4O4S — CID 7462526

IUPAC(3R)-1-(4-methylphenyl)-N-(5-nitro-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2C[C@H](C(=O)Nc3ncc([N+](=O)[O-])s3)CC2=O)cc1
InChIInChI=1S/C15H14N4O4S/c1-9-2-4-11(5-3-9)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)/t10-/m1/s1
InChIKeyWIVBWTCSGYLKIE-SNVBAGLBSA-N
MW346.37 g/mol
LogP2.35
Rot. Bonds4

About (3R)-1-(4-methylphenyl)-N-(5-nitro-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide

(3R)-1-(4-methylphenyl)-N-(5-nitro-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 7462526) has the molecular formula C15H14N4O4S and a molecular weight of 346.37 g/mol. Its IUPAC name is (3R)-1-(4-methylphenyl)-N-(5-nitro-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-methylphenyl)-N-(5-nitro-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID7462526
Molecular FormulaC15H14N4O4S
Molecular Weight346.37 g/mol
Exact Mass346.07
IUPAC Name(3R)-1-(4-methylphenyl)-N-(5-nitro-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2C[C@H](C(=O)Nc3ncc([N+](=O)[O-])s3)CC2=O)cc1
InChIInChI=1S/C15H14N4O4S/c1-9-2-4-11(5-3-9)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)/t10-/m1/s1
InChIKeyWIVBWTCSGYLKIE-SNVBAGLBSA-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

1-(2-methylphenyl)-N-(5-nitro-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 17080712
(3S)-N-(5-nitro-1,3-thiazol-2-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 9401012
(3R)-N-(4-methyl-3-nitrophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 39753290
(3S)-N-(5-methyl-1,3-thiazol-2-yl)-5-oxo-1-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 51721644
1-(4-methylphenyl)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 55334112
1-(4-methylphenyl)-5-oxo-N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 2963146
(3R)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 33039214
N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 651491
1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(6-nitro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 17081834
(3R)-N-(3,5-dimethylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 880261
(3S)-1-(4-methylphenyl)-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 1088260
(3S)-N-(2,6-dimethylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 680417

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-methylphenyl)-N-(5-nitro-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-methylphenyl)-N-(5-nitro-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide (CID 7462526) is (3R)-1-(4-methylphenyl)-N-(5-nitro-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-methylphenyl)-N-(5-nitro-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-methylphenyl)-N-(5-nitro-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc(N2C[C@H](C(=O)Nc3ncc([N+](=O)[O-])s3)CC2=O)cc1.
What is the InChIKey of (3R)-1-(4-methylphenyl)-N-(5-nitro-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WIVBWTCSGYLKIE-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H14N4O4S/c1-9-2-4-11(5-3-9)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)/t10-/m1/s1.
What are the key properties of (3R)-1-(4-methylphenyl)-N-(5-nitro-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(4-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 (3R)-1-(4-methylphenyl)-N-(5-nitro-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 7462526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).