[(5R)-2-(2-chlorophenyl)imino-5-methyl-1,3-thiazolidin-3-yl]-(2-fluorophenyl)methanone

C17H14ClFN2OS — CID 832823

IUPAC[(5R)-2-(2-chlorophenyl)imino-5-methyl-1,3-thiazolidin-3-yl]-(2-fluorophenyl)methanone
SMILESC[C@@H]1CN(C(=O)c2ccccc2F)/C(=N/c2ccccc2Cl)S1
InChIInChI=1S/C17H14ClFN2OS/c1-11-10-21(16(22)12-6-2-4-8-14(12)19)17(23-11)20-15-9-5-3-7-13(15)18/h2-9,11H,10H2,1H3/b20-17-/t11-/m1/s1
InChIKeyZNBKDZHODAQBRP-PLYKVXEXSA-N
MW348.83 g/mol
LogP4.74
Rot. Bonds2

About [(5R)-2-(2-chlorophenyl)imino-5-methyl-1,3-thiazolidin-3-yl]-(2-fluorophenyl)methanone

[(5R)-2-(2-chlorophenyl)imino-5-methyl-1,3-thiazolidin-3-yl]-(2-fluorophenyl)methanone (PubChem CID 832823) has the molecular formula C17H14ClFN2OS and a molecular weight of 348.83 g/mol. Its IUPAC name is [(5R)-2-(2-chlorophenyl)imino-5-methyl-1,3-thiazolidin-3-yl]-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name[(5R)-2-(2-chlorophenyl)imino-5-methyl-1,3-thiazolidin-3-yl]-(2-fluorophenyl)methanone
PubChem CID832823
Molecular FormulaC17H14ClFN2OS
Molecular Weight348.83 g/mol
Exact Mass348.05
IUPAC Name[(5R)-2-(2-chlorophenyl)imino-5-methyl-1,3-thiazolidin-3-yl]-(2-fluorophenyl)methanone
SMILESC[C@@H]1CN(C(=O)c2ccccc2F)/C(=N/c2ccccc2Cl)S1
InChIInChI=1S/C17H14ClFN2OS/c1-11-10-21(16(22)12-6-2-4-8-14(12)19)17(23-11)20-15-9-5-3-7-13(15)18/h2-9,11H,10H2,1H3/b20-17-/t11-/m1/s1
InChIKeyZNBKDZHODAQBRP-PLYKVXEXSA-N
XLogP4.74
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(5R)-2-(2-chlorophenyl)imino-5-methyl-1,3-thiazolidin-3-yl]-(2-fluorophenyl)methanone?
The IUPAC name of [(5R)-2-(2-chlorophenyl)imino-5-methyl-1,3-thiazolidin-3-yl]-(2-fluorophenyl)methanone (CID 832823) is [(5R)-2-(2-chlorophenyl)imino-5-methyl-1,3-thiazolidin-3-yl]-(2-fluorophenyl)methanone.
What is the SMILES notation for [(5R)-2-(2-chlorophenyl)imino-5-methyl-1,3-thiazolidin-3-yl]-(2-fluorophenyl)methanone?
The canonical SMILES for [(5R)-2-(2-chlorophenyl)imino-5-methyl-1,3-thiazolidin-3-yl]-(2-fluorophenyl)methanone is C[C@@H]1CN(C(=O)c2ccccc2F)/C(=N/c2ccccc2Cl)S1.
What is the InChIKey of [(5R)-2-(2-chlorophenyl)imino-5-methyl-1,3-thiazolidin-3-yl]-(2-fluorophenyl)methanone?
The InChIKey is ZNBKDZHODAQBRP-PLYKVXEXSA-N. The full InChI is InChI=1S/C17H14ClFN2OS/c1-11-10-21(16(22)12-6-2-4-8-14(12)19)17(23-11)20-15-9-5-3-7-13(15)18/h2-9,11H,10H2,1H3/b20-17-/t11-/m1/s1.
What are the key properties of [(5R)-2-(2-chlorophenyl)imino-5-methyl-1,3-thiazolidin-3-yl]-(2-fluorophenyl)methanone?
[(5R)-2-(2-chlorophenyl)imino-5-methyl-1,3-thiazolidin-3-yl]-(2-fluorophenyl)methanone has a molecular weight of 348.83 g/mol, XLogP of 4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-2-(2-chlorophenyl)imino-5-methyl-1,3-thiazolidin-3-yl]-(2-fluorophenyl)methanone is sourced from PubChem (CID 832823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).