2-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-4-one

C10H7ClFNOS — CID 130501122

IUPAC2-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-4-one
SMILESO=C1CSC(Cc2ccc(F)cc2Cl)=N1
InChIInChI=1S/C10H7ClFNOS/c11-8-4-7(12)2-1-6(8)3-10-13-9(14)5-15-10/h1-2,4H,3,5H2
InChIKeyFUAPJDCJACKJAL-UHFFFAOYSA-N
MW243.69 g/mol
LogP2.69
Rot. Bonds2

About 2-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-4-one

2-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-4-one (PubChem CID 130501122) has the molecular formula C10H7ClFNOS and a molecular weight of 243.69 g/mol. Its IUPAC name is 2-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-4-one
PubChem CID130501122
Molecular FormulaC10H7ClFNOS
Molecular Weight243.69 g/mol
Exact Mass242.99
IUPAC Name2-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-4-one
SMILESO=C1CSC(Cc2ccc(F)cc2Cl)=N1
InChIInChI=1S/C10H7ClFNOS/c11-8-4-7(12)2-1-6(8)3-10-13-9(14)5-15-10/h1-2,4H,3,5H2
InChIKeyFUAPJDCJACKJAL-UHFFFAOYSA-N
XLogP2.69
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-chloro-6-fluorobenzylidene)-2-phenyl-1,3-thiazol-4(5H)-one
CID 1741161
2-[(2-Chloro-6-fluorobenzyl)sulfanyl]acetamide
CID 961808
2-[(2-Fluorophenyl)methyl]-1,3-thiazol-4-one
CID 58048023
3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5,5-dimethyl-4H-1,2-oxazole
CID 69386345
2-[(4-Fluorophenyl)methyl]-1,3-thiazol-4-one
CID 130501209
2-(2-Chloro-6-fluorophenyl)-1,3-thiazol-4-one
CID 130501300
3-[(E)-3-(2-chloro-4-fluorophenyl)prop-2-enyl]sulfanyl-5,5-dimethyl-4H-1,2-oxazole
CID 155675501
5-[(2-Chloro-4-fluorophenyl)methylidene]-4-oxo-1,3-thiazole-2-carboxamide
CID 173777177
3-[3-(2-chloro-4-fluorophenyl)prop-2-enylsulfanyl]-5,5-dimethyl-4H-1,2-oxazole
CID 175490405
5-[(2-Chloro-6-fluorophenyl)methylidene]-2-phenyl-1,3-thiazol-4-one
CID 869606
(5E)-5-[(2-chloro-6-fluorophenyl)methylidene]-2-phenyl-1,3-thiazol-4-one
CID 1741162
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N,N-dimethylacetamide
CID 4285696

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-4-one?
The IUPAC name of 2-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-4-one (CID 130501122) is 2-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-4-one.
What is the SMILES notation for 2-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-4-one?
The canonical SMILES for 2-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-4-one is O=C1CSC(Cc2ccc(F)cc2Cl)=N1.
What is the InChIKey of 2-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-4-one?
The InChIKey is FUAPJDCJACKJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFNOS/c11-8-4-7(12)2-1-6(8)3-10-13-9(14)5-15-10/h1-2,4H,3,5H2.
What are the key properties of 2-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-4-one?
2-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-4-one has a molecular weight of 243.69 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-4-one is sourced from PubChem (CID 130501122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).