5-(2-chloro-6-fluorophenyl)-N-methyl-1,3-thiazol-2-amine

C10H8ClFN2S — CID 116811869

IUPAC5-(2-chloro-6-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCNc1ncc(-c2c(F)cccc2Cl)s1
InChIInChI=1S/C10H8ClFN2S/c1-13-10-14-5-8(15-10)9-6(11)3-2-4-7(9)12/h2-5H,1H3,(H,13,14)
InChIKeyVARHTZKQPCNNHE-UHFFFAOYSA-N
MW242.71 g/mol
LogP3.64
Rot. Bonds2

About 5-(2-chloro-6-fluorophenyl)-N-methyl-1,3-thiazol-2-amine

5-(2-chloro-6-fluorophenyl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 116811869) has the molecular formula C10H8ClFN2S and a molecular weight of 242.71 g/mol. Its IUPAC name is 5-(2-chloro-6-fluorophenyl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2-chloro-6-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
PubChem CID116811869
Molecular FormulaC10H8ClFN2S
Molecular Weight242.71 g/mol
Exact Mass242.01
IUPAC Name5-(2-chloro-6-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCNc1ncc(-c2c(F)cccc2Cl)s1
InChIInChI=1S/C10H8ClFN2S/c1-13-10-14-5-8(15-10)9-6(11)3-2-4-7(9)12/h2-5H,1H3,(H,13,14)
InChIKeyVARHTZKQPCNNHE-UHFFFAOYSA-N
XLogP3.64
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-fluoro-4-methylphenyl)-N-methyl-1,3-thiazol-2-amine
CID 116811882
1-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 62651174
N-[[5-(2-chloro-6-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-(furan-2-yl)methanamine
CID 53271505
2-(2-chloro-6-fluorophenyl)-1-methylimidazole
CID 82077992
N-[[5-(2-chloro-6-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-(2,3-dimethoxyphenyl)methanamine
CID 53271539
1-[5-(2-chloro-6-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine
CID 65178721
5-(4-bromo-2-chlorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 116811845
N-methyl-5-pyridin-3-yl-1,3-thiazol-2-amine
CID 88977985
N-[[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 55079087
ethane;N-methyl-5-pyridin-3-yl-1,3-thiazol-2-amine
CID 143142326
1-(1,3-benzodioxol-5-yl)-N-[[5-(2-chloro-6-fluorophenyl)-1,3-thiazol-2-yl]methyl]methanamine
CID 53271493
1-[4-tert-butyl-2-(2-chloro-6-fluorophenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114362415

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-6-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(2-chloro-6-fluorophenyl)-N-methyl-1,3-thiazol-2-amine (CID 116811869) is 5-(2-chloro-6-fluorophenyl)-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2-chloro-6-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2-chloro-6-fluorophenyl)-N-methyl-1,3-thiazol-2-amine is CNc1ncc(-c2c(F)cccc2Cl)s1.
What is the InChIKey of 5-(2-chloro-6-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The InChIKey is VARHTZKQPCNNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2S/c1-13-10-14-5-8(15-10)9-6(11)3-2-4-7(9)12/h2-5H,1H3,(H,13,14).
What are the key properties of 5-(2-chloro-6-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
5-(2-chloro-6-fluorophenyl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 242.71 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-6-fluorophenyl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 116811869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).