2-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-1,3-thiazole

C11H9ClFNS — CID 112683812

IUPAC2-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-1,3-thiazole
SMILESCc1csc(Cc2c(F)cccc2Cl)n1
InChIInChI=1S/C11H9ClFNS/c1-7-6-15-11(14-7)5-8-9(12)3-2-4-10(8)13/h2-4,6H,5H2,1H3
InChIKeyKLZFIHYVEQRWOR-UHFFFAOYSA-N
MW241.72 g/mol
LogP3.83
Rot. Bonds2

About 2-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-1,3-thiazole

2-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-1,3-thiazole (PubChem CID 112683812) has the molecular formula C11H9ClFNS and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-1,3-thiazole
PubChem CID112683812
Molecular FormulaC11H9ClFNS
Molecular Weight241.72 g/mol
Exact Mass241.01
IUPAC Name2-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-1,3-thiazole
SMILESCc1csc(Cc2c(F)cccc2Cl)n1
InChIInChI=1S/C11H9ClFNS/c1-7-6-15-11(14-7)5-8-9(12)3-2-4-10(8)13/h2-4,6H,5H2,1H3
InChIKeyKLZFIHYVEQRWOR-UHFFFAOYSA-N
XLogP3.83
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-5-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-thiadiazole
CID 102944096
1-(2,6-dichlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 62795300
1-(2-chloro-3-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 112653689
2-[(2-chloro-6-fluorophenyl)methyl]-6-methylpyrimidin-4-amine
CID 63023707
2-[(2-chloro-6-fluorophenyl)methyl]-4-(chloromethyl)-6-methylpyrimidine
CID 63024051
4-chloro-2-[(2-chloro-6-fluorophenyl)methyl]-5,6-dimethylpyrimidine
CID 63024195
1-(2-chloro-6-methylsulfonylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 83170912
1-[4-tert-butyl-2-[(2-chloro-6-fluorophenyl)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114362397
2-benzyl-4-methyl-1,3-thiazole;ethane
CID 91344843
1-[2-[(2-chloro-6-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]-N-methylmethanamine
CID 63022672
7-chloro-6-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine
CID 82274553
N-[[2-[(2-chloro-6-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 63023881

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-1,3-thiazole (CID 112683812) is 2-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-1,3-thiazole is Cc1csc(Cc2c(F)cccc2Cl)n1.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-1,3-thiazole?
The InChIKey is KLZFIHYVEQRWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFNS/c1-7-6-15-11(14-7)5-8-9(12)3-2-4-10(8)13/h2-4,6H,5H2,1H3.
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-1,3-thiazole?
2-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-1,3-thiazole has a molecular weight of 241.72 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 112683812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).