2-(5-chloro-2-fluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine

C13H14ClFN2S — CID 114033839

IUPAC2-(5-chloro-2-fluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
SMILESCc1nc(C)c(C(N)Cc2cc(Cl)ccc2F)s1
InChIInChI=1S/C13H14ClFN2S/c1-7-13(18-8(2)17-7)12(16)6-9-5-10(14)3-4-11(9)15/h3-5,12H,6,16H2,1-2H3
InChIKeyKXHAVZIZYCUGKS-UHFFFAOYSA-N
MW284.79 g/mol
LogP3.79
Rot. Bonds3

About 2-(5-chloro-2-fluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine

2-(5-chloro-2-fluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine (PubChem CID 114033839) has the molecular formula C13H14ClFN2S and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
PubChem CID114033839
Molecular FormulaC13H14ClFN2S
Molecular Weight284.79 g/mol
Exact Mass284.06
IUPAC Name2-(5-chloro-2-fluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
SMILESCc1nc(C)c(C(N)Cc2cc(Cl)ccc2F)s1
InChIInChI=1S/C13H14ClFN2S/c1-7-13(18-8(2)17-7)12(16)6-9-5-10(14)3-4-11(9)15/h3-5,12H,6,16H2,1-2H3
InChIKeyKXHAVZIZYCUGKS-UHFFFAOYSA-N
XLogP3.79
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(5-chloro-2-fluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]hydrazine
CID 114033950
2-(5-chloro-2-fluorophenyl)-1-(6-methyl-2-pyridinyl)ethanamine
CID 103048658
2-(5-chloro-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 103053134
2-(5-chloro-2-fluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanamine
CID 114220113
2-(5-chloro-2-fluorophenyl)-1-(3-chloro-5-methylphenyl)ethanamine
CID 103052955
N-[(2,5-dichlorophenyl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 65315816
2-(2-chloro-5-fluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanol
CID 114033903
2-(5-bromo-2-fluorophenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanamine
CID 103405565
[2-(5-chloro-2-fluorophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 103053824
1-(2-bromo-3-methylphenyl)-2-(5-chloro-2-fluorophenyl)ethanamine
CID 107985554
2-(2,5-difluorophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 105105222
4-(5-chloro-2-fluorophenyl)-3-methylbutan-2-ol
CID 103049449

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine (CID 114033839) is 2-(5-chloro-2-fluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine is Cc1nc(C)c(C(N)Cc2cc(Cl)ccc2F)s1.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine?
The InChIKey is KXHAVZIZYCUGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2S/c1-7-13(18-8(2)17-7)12(16)6-9-5-10(14)3-4-11(9)15/h3-5,12H,6,16H2,1-2H3.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine?
2-(5-chloro-2-fluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine has a molecular weight of 284.79 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 114033839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).