2-[5-[(4-chlorophenyl)methyl]-2-imino-1,3-thiazol-3-yl]-1-(4-fluorophenyl)ethanone

C18H14ClFN2OS — CID 16648413

IUPAC2-[5-[(4-chlorophenyl)methyl]-2-imino-1,3-thiazol-3-yl]-1-(4-fluorophenyl)ethanone
SMILES[H]/N=c1\sc(Cc2ccc(Cl)cc2)cn1CC(=O)c1ccc(F)cc1
InChIInChI=1S/C18H14ClFN2OS/c19-14-5-1-12(2-6-14)9-16-10-22(18(21)24-16)11-17(23)13-3-7-15(20)8-4-13/h1-8,10,21H,9,11H2/b21-18-
InChIKeyHOYNMGAKWFEQLX-UZYVYHOESA-N
MW360.84 g/mol
LogP4.30
Rot. Bonds5

About 2-[5-[(4-chlorophenyl)methyl]-2-imino-1,3-thiazol-3-yl]-1-(4-fluorophenyl)ethanone

2-[5-[(4-chlorophenyl)methyl]-2-imino-1,3-thiazol-3-yl]-1-(4-fluorophenyl)ethanone (PubChem CID 16648413) has the molecular formula C18H14ClFN2OS and a molecular weight of 360.84 g/mol. Its IUPAC name is 2-[5-[(4-chlorophenyl)methyl]-2-imino-1,3-thiazol-3-yl]-1-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-[5-[(4-chlorophenyl)methyl]-2-imino-1,3-thiazol-3-yl]-1-(4-fluorophenyl)ethanone
PubChem CID16648413
Molecular FormulaC18H14ClFN2OS
Molecular Weight360.84 g/mol
Exact Mass360.05
IUPAC Name2-[5-[(4-chlorophenyl)methyl]-2-imino-1,3-thiazol-3-yl]-1-(4-fluorophenyl)ethanone
SMILES[H]/N=c1\sc(Cc2ccc(Cl)cc2)cn1CC(=O)c1ccc(F)cc1
InChIInChI=1S/C18H14ClFN2OS/c19-14-5-1-12(2-6-14)9-16-10-22(18(21)24-16)11-17(23)13-3-7-15(20)8-4-13/h1-8,10,21H,9,11H2/b21-18-
InChIKeyHOYNMGAKWFEQLX-UZYVYHOESA-N
XLogP4.30
TPSA45.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-chlorophenyl)methyl]-2-imino-1,3-thiazol-3-yl]-1-(4-fluorophenyl)ethanone?
The IUPAC name of 2-[5-[(4-chlorophenyl)methyl]-2-imino-1,3-thiazol-3-yl]-1-(4-fluorophenyl)ethanone (CID 16648413) is 2-[5-[(4-chlorophenyl)methyl]-2-imino-1,3-thiazol-3-yl]-1-(4-fluorophenyl)ethanone.
What is the SMILES notation for 2-[5-[(4-chlorophenyl)methyl]-2-imino-1,3-thiazol-3-yl]-1-(4-fluorophenyl)ethanone?
The canonical SMILES for 2-[5-[(4-chlorophenyl)methyl]-2-imino-1,3-thiazol-3-yl]-1-(4-fluorophenyl)ethanone is [H]/N=c1\sc(Cc2ccc(Cl)cc2)cn1CC(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[5-[(4-chlorophenyl)methyl]-2-imino-1,3-thiazol-3-yl]-1-(4-fluorophenyl)ethanone?
The InChIKey is HOYNMGAKWFEQLX-UZYVYHOESA-N. The full InChI is InChI=1S/C18H14ClFN2OS/c19-14-5-1-12(2-6-14)9-16-10-22(18(21)24-16)11-17(23)13-3-7-15(20)8-4-13/h1-8,10,21H,9,11H2/b21-18-.
What are the key properties of 2-[5-[(4-chlorophenyl)methyl]-2-imino-1,3-thiazol-3-yl]-1-(4-fluorophenyl)ethanone?
2-[5-[(4-chlorophenyl)methyl]-2-imino-1,3-thiazol-3-yl]-1-(4-fluorophenyl)ethanone has a molecular weight of 360.84 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-chlorophenyl)methyl]-2-imino-1,3-thiazol-3-yl]-1-(4-fluorophenyl)ethanone is sourced from PubChem (CID 16648413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).