1-[2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]ethanamine

C12H13FN2S — CID 107931868

IUPAC1-[2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]ethanamine
SMILESCc1ccc(F)c(-c2ncc(C(C)N)s2)c1
InChIInChI=1S/C12H13FN2S/c1-7-3-4-10(13)9(5-7)12-15-6-11(16-12)8(2)14/h3-6,8H,14H2,1-2H3
InChIKeyLNACIOZCNAZDJH-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.28
Rot. Bonds2

About 1-[2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]ethanamine

1-[2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 107931868) has the molecular formula C12H13FN2S and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-[2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]ethanamine
PubChem CID107931868
Molecular FormulaC12H13FN2S
Molecular Weight236.31 g/mol
Exact Mass236.08
IUPAC Name1-[2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]ethanamine
SMILESCc1ccc(F)c(-c2ncc(C(C)N)s2)c1
InChIInChI=1S/C12H13FN2S/c1-7-3-4-10(13)9(5-7)12-15-6-11(16-12)8(2)14/h3-6,8H,14H2,1-2H3
InChIKeyLNACIOZCNAZDJH-UHFFFAOYSA-N
XLogP3.28
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-fluorophenyl)-1,3-thiazol-5-yl]ethanamine
CID 62653902
1-[2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]ethanone
CID 107931854
2-(2-fluoro-5-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 107931351
1-[2-(2-bromophenyl)-1,3-thiazol-5-yl]ethanamine
CID 62653548
1-[2-(3,5-dichlorophenyl)-1,3-thiazol-5-yl]ethanamine
CID 62652845
1-[2-(2-methylquinolin-4-yl)-1,3-thiazol-5-yl]ethanamine
CID 79235133
2-(4-bromo-2-fluorophenyl)-5-propan-2-yl-1,3-thiazole
CID 114908199
N-[[2-(2,5-difluorophenyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 63674986
1-[2-(2-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 55056781
N-[[2-(2-fluoro-5-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 107932011
5-(2-fluoro-5-methylphenyl)pyrazin-2-amine
CID 56715716
(1R)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 45072341

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]ethanamine (CID 107931868) is 1-[2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]ethanamine is Cc1ccc(F)c(-c2ncc(C(C)N)s2)c1.
What is the InChIKey of 1-[2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is LNACIOZCNAZDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2S/c1-7-3-4-10(13)9(5-7)12-15-6-11(16-12)8(2)14/h3-6,8H,14H2,1-2H3.
What are the key properties of 1-[2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]ethanamine?
1-[2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 236.31 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 107931868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).