(5R)-5-[5-(2-amino-1,3-thiazol-4-yl)-3-pyridinyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione

C21H18N6O4S — CID 89070355

IUPAC(5R)-5-[5-(2-amino-1,3-thiazol-4-yl)-3-pyridinyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3cncc(-c4csc(N)n4)c3)NC(=O)NC1=O)C2
InChIInChI=1S/C21H18N6O4S/c1-31-14-3-2-11-8-27(17(28)15(11)5-14)10-21(18(29)25-20(30)26-21)13-4-12(6-23-7-13)16-9-32-19(22)24-16/h2-7,9H,8,10H2,1H3,(H2,22,24)(H2,25,26,29,30)/t21-/m0/s1
InChIKeyVTDHPDLTQMYUEP-NRFANRHFSA-N
MW450.48 g/mol
LogP1.49
Rot. Bonds5

About (5R)-5-[5-(2-amino-1,3-thiazol-4-yl)-3-pyridinyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione

(5R)-5-[5-(2-amino-1,3-thiazol-4-yl)-3-pyridinyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 89070355) has the molecular formula C21H18N6O4S and a molecular weight of 450.48 g/mol. Its IUPAC name is (5R)-5-[5-(2-amino-1,3-thiazol-4-yl)-3-pyridinyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[5-(2-amino-1,3-thiazol-4-yl)-3-pyridinyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
PubChem CID89070355
Molecular FormulaC21H18N6O4S
Molecular Weight450.48 g/mol
Exact Mass450.11
IUPAC Name(5R)-5-[5-(2-amino-1,3-thiazol-4-yl)-3-pyridinyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3cncc(-c4csc(N)n4)c3)NC(=O)NC1=O)C2
InChIInChI=1S/C21H18N6O4S/c1-31-14-3-2-11-8-27(17(28)15(11)5-14)10-21(18(29)25-20(30)26-21)13-4-12(6-23-7-13)16-9-32-19(22)24-16/h2-7,9H,8,10H2,1H3,(H2,22,24)(H2,25,26,29,30)/t21-/m0/s1
InChIKeyVTDHPDLTQMYUEP-NRFANRHFSA-N
XLogP1.49
TPSA139.54 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.48
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze (5R)-5-[5-(2-amino-1,3-thiazol-4-yl)-3-pyridinyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[5-(2-amino-1,3-thiazol-4-yl)-3-pyridinyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[5-(2-amino-1,3-thiazol-4-yl)-3-pyridinyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (CID 89070355) is (5R)-5-[5-(2-amino-1,3-thiazol-4-yl)-3-pyridinyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[5-(2-amino-1,3-thiazol-4-yl)-3-pyridinyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[5-(2-amino-1,3-thiazol-4-yl)-3-pyridinyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cncc(-c4csc(N)n4)c3)NC(=O)NC1=O)C2.
What is the InChIKey of (5R)-5-[5-(2-amino-1,3-thiazol-4-yl)-3-pyridinyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is VTDHPDLTQMYUEP-NRFANRHFSA-N. The full InChI is InChI=1S/C21H18N6O4S/c1-31-14-3-2-11-8-27(17(28)15(11)5-14)10-21(18(29)25-20(30)26-21)13-4-12(6-23-7-13)16-9-32-19(22)24-16/h2-7,9H,8,10H2,1H3,(H2,22,24)(H2,25,26,29,30)/t21-/m0/s1.
What are the key properties of (5R)-5-[5-(2-amino-1,3-thiazol-4-yl)-3-pyridinyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
(5R)-5-[5-(2-amino-1,3-thiazol-4-yl)-3-pyridinyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 450.48 g/mol, XLogP of 1.49, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[5-(2-amino-1,3-thiazol-4-yl)-3-pyridinyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 89070355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).