3-[[4-(2-fluorophenyl)-2-phenylimino-1,3-thiazol-3-yl]imino]-1-methylindol-2-one

C24H17FN4OS — CID 23738052

IUPAC3-[[4-(2-fluorophenyl)-2-phenylimino-1,3-thiazol-3-yl]imino]-1-methylindol-2-one
SMILESCN1C(=O)C(=Nn2c(-c3ccccc3F)cs/c2=N\c2ccccc2)c2ccccc21
InChIInChI=1S/C24H17FN4OS/c1-28-20-14-8-6-12-18(20)22(23(28)30)27-29-21(17-11-5-7-13-19(17)25)15-31-24(29)26-16-9-3-2-4-10-16/h2-15H,1H3/b26-24-,27-22?
InChIKeyASBVTLGJKAFRGW-MYJCLFQOSA-N
MW428.49 g/mol
LogP4.82
Rot. Bonds3

About 3-[[4-(2-fluorophenyl)-2-phenylimino-1,3-thiazol-3-yl]imino]-1-methylindol-2-one

3-[[4-(2-fluorophenyl)-2-phenylimino-1,3-thiazol-3-yl]imino]-1-methylindol-2-one (PubChem CID 23738052) has the molecular formula C24H17FN4OS and a molecular weight of 428.49 g/mol. Its IUPAC name is 3-[[4-(2-fluorophenyl)-2-phenylimino-1,3-thiazol-3-yl]imino]-1-methylindol-2-one.

Molecular Properties

Compound Name3-[[4-(2-fluorophenyl)-2-phenylimino-1,3-thiazol-3-yl]imino]-1-methylindol-2-one
PubChem CID23738052
Molecular FormulaC24H17FN4OS
Molecular Weight428.49 g/mol
Exact Mass428.11
IUPAC Name3-[[4-(2-fluorophenyl)-2-phenylimino-1,3-thiazol-3-yl]imino]-1-methylindol-2-one
SMILESCN1C(=O)C(=Nn2c(-c3ccccc3F)cs/c2=N\c2ccccc2)c2ccccc21
InChIInChI=1S/C24H17FN4OS/c1-28-20-14-8-6-12-18(20)22(23(28)30)27-29-21(17-11-5-7-13-19(17)25)15-31-24(29)26-16-9-3-2-4-10-16/h2-15H,1H3/b26-24-,27-22?
InChIKeyASBVTLGJKAFRGW-MYJCLFQOSA-N
XLogP4.82
TPSA49.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_isatin(189)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-fluorophenyl)-2-phenylimino-1,3-thiazol-3-yl]imino]-1-methylindol-2-one?
The IUPAC name of 3-[[4-(2-fluorophenyl)-2-phenylimino-1,3-thiazol-3-yl]imino]-1-methylindol-2-one (CID 23738052) is 3-[[4-(2-fluorophenyl)-2-phenylimino-1,3-thiazol-3-yl]imino]-1-methylindol-2-one.
What is the SMILES notation for 3-[[4-(2-fluorophenyl)-2-phenylimino-1,3-thiazol-3-yl]imino]-1-methylindol-2-one?
The canonical SMILES for 3-[[4-(2-fluorophenyl)-2-phenylimino-1,3-thiazol-3-yl]imino]-1-methylindol-2-one is CN1C(=O)C(=Nn2c(-c3ccccc3F)cs/c2=N\c2ccccc2)c2ccccc21.
What is the InChIKey of 3-[[4-(2-fluorophenyl)-2-phenylimino-1,3-thiazol-3-yl]imino]-1-methylindol-2-one?
The InChIKey is ASBVTLGJKAFRGW-MYJCLFQOSA-N. The full InChI is InChI=1S/C24H17FN4OS/c1-28-20-14-8-6-12-18(20)22(23(28)30)27-29-21(17-11-5-7-13-19(17)25)15-31-24(29)26-16-9-3-2-4-10-16/h2-15H,1H3/b26-24-,27-22?.
What are the key properties of 3-[[4-(2-fluorophenyl)-2-phenylimino-1,3-thiazol-3-yl]imino]-1-methylindol-2-one?
3-[[4-(2-fluorophenyl)-2-phenylimino-1,3-thiazol-3-yl]imino]-1-methylindol-2-one has a molecular weight of 428.49 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-fluorophenyl)-2-phenylimino-1,3-thiazol-3-yl]imino]-1-methylindol-2-one is sourced from PubChem (CID 23738052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).