1'-[(2-chloro-1,3-thiazol-5-yl)methyl]-5'-fluorospiro[imidazolidine-5,3'-indole]-2,2',4-trione

C14H8ClFN4O3S — CID 24820824

IUPAC1'-[(2-chloro-1,3-thiazol-5-yl)methyl]-5'-fluorospiro[imidazolidine-5,3'-indole]-2,2',4-trione
SMILESO=C1NC(=O)C2(N1)C(=O)N(Cc1cnc(Cl)s1)c1ccc(F)cc12
InChIInChI=1S/C14H8ClFN4O3S/c15-12-17-4-7(24-12)5-20-9-2-1-6(16)3-8(9)14(11(20)22)10(21)18-13(23)19-14/h1-4H,5H2,(H2,18,19,21,23)
InChIKeyCWGMHOGTONPUHU-UHFFFAOYSA-N
MW366.76 g/mol
LogP1.52
Rot. Bonds2

About 1'-[(2-chloro-1,3-thiazol-5-yl)methyl]-5'-fluorospiro[imidazolidine-5,3'-indole]-2,2',4-trione

1'-[(2-chloro-1,3-thiazol-5-yl)methyl]-5'-fluorospiro[imidazolidine-5,3'-indole]-2,2',4-trione (PubChem CID 24820824) has the molecular formula C14H8ClFN4O3S and a molecular weight of 366.76 g/mol. Its IUPAC name is 1'-[(2-chloro-1,3-thiazol-5-yl)methyl]-5'-fluorospiro[imidazolidine-5,3'-indole]-2,2',4-trione.

Molecular Properties

Compound Name1'-[(2-chloro-1,3-thiazol-5-yl)methyl]-5'-fluorospiro[imidazolidine-5,3'-indole]-2,2',4-trione
PubChem CID24820824
Molecular FormulaC14H8ClFN4O3S
Molecular Weight366.76 g/mol
Exact Mass366.00
IUPAC Name1'-[(2-chloro-1,3-thiazol-5-yl)methyl]-5'-fluorospiro[imidazolidine-5,3'-indole]-2,2',4-trione
SMILESO=C1NC(=O)C2(N1)C(=O)N(Cc1cnc(Cl)s1)c1ccc(F)cc12
InChIInChI=1S/C14H8ClFN4O3S/c15-12-17-4-7(24-12)5-20-9-2-1-6(16)3-8(9)14(11(20)22)10(21)18-13(23)19-14/h1-4H,5H2,(H2,18,19,21,23)
InChIKeyCWGMHOGTONPUHU-UHFFFAOYSA-N
XLogP1.52
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.76
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1'-[(2-chloro-1,3-thiazol-5-yl)methyl]-5'-fluorospiro[imidazolidine-5,3'-indole]-2,2',4-trione?
The IUPAC name of 1'-[(2-chloro-1,3-thiazol-5-yl)methyl]-5'-fluorospiro[imidazolidine-5,3'-indole]-2,2',4-trione (CID 24820824) is 1'-[(2-chloro-1,3-thiazol-5-yl)methyl]-5'-fluorospiro[imidazolidine-5,3'-indole]-2,2',4-trione.
What is the SMILES notation for 1'-[(2-chloro-1,3-thiazol-5-yl)methyl]-5'-fluorospiro[imidazolidine-5,3'-indole]-2,2',4-trione?
The canonical SMILES for 1'-[(2-chloro-1,3-thiazol-5-yl)methyl]-5'-fluorospiro[imidazolidine-5,3'-indole]-2,2',4-trione is O=C1NC(=O)C2(N1)C(=O)N(Cc1cnc(Cl)s1)c1ccc(F)cc12.
What is the InChIKey of 1'-[(2-chloro-1,3-thiazol-5-yl)methyl]-5'-fluorospiro[imidazolidine-5,3'-indole]-2,2',4-trione?
The InChIKey is CWGMHOGTONPUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClFN4O3S/c15-12-17-4-7(24-12)5-20-9-2-1-6(16)3-8(9)14(11(20)22)10(21)18-13(23)19-14/h1-4H,5H2,(H2,18,19,21,23).
What are the key properties of 1'-[(2-chloro-1,3-thiazol-5-yl)methyl]-5'-fluorospiro[imidazolidine-5,3'-indole]-2,2',4-trione?
1'-[(2-chloro-1,3-thiazol-5-yl)methyl]-5'-fluorospiro[imidazolidine-5,3'-indole]-2,2',4-trione has a molecular weight of 366.76 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(2-chloro-1,3-thiazol-5-yl)methyl]-5'-fluorospiro[imidazolidine-5,3'-indole]-2,2',4-trione is sourced from PubChem (CID 24820824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).