(1R)-1-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]ethanamine

C11H11FN2S — CID 95377650

IUPAC(1R)-1-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]ethanamine
SMILESC[C@@H](N)c1csc(-c2ccccc2F)n1
InChIInChI=1S/C11H11FN2S/c1-7(13)10-6-15-11(14-10)8-4-2-3-5-9(8)12/h2-7H,13H2,1H3/t7-/m1/s1
InChIKeyLOOCUWMTACLEPC-SSDOTTSWSA-N
MW222.29 g/mol
LogP2.97
Rot. Bonds2

About (1R)-1-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]ethanamine

(1R)-1-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]ethanamine (PubChem CID 95377650) has the molecular formula C11H11FN2S and a molecular weight of 222.29 g/mol. Its IUPAC name is (1R)-1-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]ethanamine
PubChem CID95377650
Molecular FormulaC11H11FN2S
Molecular Weight222.29 g/mol
Exact Mass222.06
IUPAC Name(1R)-1-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]ethanamine
SMILESC[C@@H](N)c1csc(-c2ccccc2F)n1
InChIInChI=1S/C11H11FN2S/c1-7(13)10-6-15-11(14-10)8-4-2-3-5-9(8)12/h2-7H,13H2,1H3/t7-/m1/s1
InChIKeyLOOCUWMTACLEPC-SSDOTTSWSA-N
XLogP2.97
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]ethanamine
CID 64544065
4-(dimethoxymethyl)-2-(2-fluorophenyl)-1,3-thiazole
CID 66054356
1-(2-phenyl-1,3-thiazol-4-yl)ethanamine
CID 12009827
1-[2-(1-benzothiophen-3-yl)-1,3-thiazol-4-yl]ethanamine
CID 64542695
4-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-fluorophenol
CID 136813722
1-(2-isoquinolin-4-yl-1,3-thiazol-4-yl)ethanamine
CID 104504761
2-(2-fluorophenyl)-4-methyl-1,3-thiazole
CID 53443450
4-[4-(1-aminoethyl)-1,3-thiazol-2-yl]benzene-1,2-diol
CID 136889178
[2-(2-fluorophenyl)-1,3-thiazol-4-yl]hydrazine
CID 116892142
1-[2-(2-fluorophenyl)-1,3-thiazol-5-yl]ethanamine
CID 62653902
1-[2-(3-chloro-2-pyridinyl)-1,3-thiazol-4-yl]ethanamine
CID 103445012
1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]ethanamine
CID 64545330

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of (1R)-1-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]ethanamine (CID 95377650) is (1R)-1-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for (1R)-1-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for (1R)-1-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]ethanamine is C[C@@H](N)c1csc(-c2ccccc2F)n1.
What is the InChIKey of (1R)-1-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]ethanamine?
The InChIKey is LOOCUWMTACLEPC-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H11FN2S/c1-7(13)10-6-15-11(14-10)8-4-2-3-5-9(8)12/h2-7H,13H2,1H3/t7-/m1/s1.
What are the key properties of (1R)-1-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]ethanamine?
(1R)-1-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]ethanamine has a molecular weight of 222.29 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 95377650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).