(5R)-5-methyl-5-(4-nitrophenyl)-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione

C20H16N4O4S — CID 7242907

IUPAC(5R)-5-methyl-5-(4-nitrophenyl)-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione
SMILESC[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(Cc2csc(-c3ccccc3)n2)C1=O
InChIInChI=1S/C20H16N4O4S/c1-20(14-7-9-16(10-8-14)24(27)28)18(25)23(19(26)22-20)11-15-12-29-17(21-15)13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,22,26)/t20-/m1/s1
InChIKeyKLVKJWZGWMAAPR-HXUWFJFHSA-N
MW408.44 g/mol
LogP3.69
Rot. Bonds5

About (5R)-5-methyl-5-(4-nitrophenyl)-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione

(5R)-5-methyl-5-(4-nitrophenyl)-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione (PubChem CID 7242907) has the molecular formula C20H16N4O4S and a molecular weight of 408.44 g/mol. Its IUPAC name is (5R)-5-methyl-5-(4-nitrophenyl)-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-methyl-5-(4-nitrophenyl)-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione
PubChem CID7242907
Molecular FormulaC20H16N4O4S
Molecular Weight408.44 g/mol
Exact Mass408.09
IUPAC Name(5R)-5-methyl-5-(4-nitrophenyl)-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione
SMILESC[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(Cc2csc(-c3ccccc3)n2)C1=O
InChIInChI=1S/C20H16N4O4S/c1-20(14-7-9-16(10-8-14)24(27)28)18(25)23(19(26)22-20)11-15-12-29-17(21-15)13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,22,26)/t20-/m1/s1
InChIKeyKLVKJWZGWMAAPR-HXUWFJFHSA-N
XLogP3.69
TPSA105.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.44
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-5-(4-nitrophenyl)-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-methyl-5-(4-nitrophenyl)-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione (CID 7242907) is (5R)-5-methyl-5-(4-nitrophenyl)-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-methyl-5-(4-nitrophenyl)-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-methyl-5-(4-nitrophenyl)-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione is C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(Cc2csc(-c3ccccc3)n2)C1=O.
What is the InChIKey of (5R)-5-methyl-5-(4-nitrophenyl)-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is KLVKJWZGWMAAPR-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H16N4O4S/c1-20(14-7-9-16(10-8-14)24(27)28)18(25)23(19(26)22-20)11-15-12-29-17(21-15)13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,22,26)/t20-/m1/s1.
What are the key properties of (5R)-5-methyl-5-(4-nitrophenyl)-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione?
(5R)-5-methyl-5-(4-nitrophenyl)-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 408.44 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-5-(4-nitrophenyl)-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 7242907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).