2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-4-methyl-1,3-thiazole

C11H9ClFNS2 — CID 134065458

IUPAC2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-4-methyl-1,3-thiazole
SMILESCc1csc(SCc2ccc(Cl)cc2F)n1
InChIInChI=1S/C11H9ClFNS2/c1-7-5-15-11(14-7)16-6-8-2-3-9(12)4-10(8)13/h2-5H,6H2,1H3
InChIKeyZXOZFROMPWDIOZ-UHFFFAOYSA-N
MW273.79 g/mol
LogP4.54
Rot. Bonds3

About 2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-4-methyl-1,3-thiazole

2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-4-methyl-1,3-thiazole (PubChem CID 134065458) has the molecular formula C11H9ClFNS2 and a molecular weight of 273.79 g/mol. Its IUPAC name is 2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-4-methyl-1,3-thiazole
PubChem CID134065458
Molecular FormulaC11H9ClFNS2
Molecular Weight273.79 g/mol
Exact Mass272.98
IUPAC Name2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-4-methyl-1,3-thiazole
SMILESCc1csc(SCc2ccc(Cl)cc2F)n1
InChIInChI=1S/C11H9ClFNS2/c1-7-5-15-11(14-7)16-6-8-2-3-9(12)4-10(8)13/h2-5H,6H2,1H3
InChIKeyZXOZFROMPWDIOZ-UHFFFAOYSA-N
XLogP4.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.79
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]phenyl]methanamine
CID 63289440
5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoic acid
CID 63293267
2-(4-chloro-2-fluorophenyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 114852713
5-[(4-chloro-2-fluorophenyl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine
CID 114849686
4-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzonitrile
CID 113256504
3-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzonitrile
CID 114483968
1-(4-chlorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanol
CID 110884759
4-chloro-2-fluoro-1-[(4-fluorophenyl)sulfanylmethyl]benzene
CID 91656407
4-chloro-1-[(3,4-difluorophenyl)sulfanylmethyl]-2-fluorobenzene
CID 91657414
4-[(4-chloro-2-fluorophenyl)methylsulfanyl]-2,6-dimethylpyrimidine-5-carboxylic acid
CID 114847699
2-[2-(3-chlorophenoxy)ethylsulfanyl]-4-methyl-1,3-thiazole
CID 47096462
2-chloro-5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-thiazole
CID 79764244

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-4-methyl-1,3-thiazole (CID 134065458) is 2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-4-methyl-1,3-thiazole is Cc1csc(SCc2ccc(Cl)cc2F)n1.
What is the InChIKey of 2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-4-methyl-1,3-thiazole?
The InChIKey is ZXOZFROMPWDIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFNS2/c1-7-5-15-11(14-7)16-6-8-2-3-9(12)4-10(8)13/h2-5H,6H2,1H3.
What are the key properties of 2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-4-methyl-1,3-thiazole?
2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-4-methyl-1,3-thiazole has a molecular weight of 273.79 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 134065458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).