2-[2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-4-yl]ethanamine

C12H13FN2OS — CID 81309552

IUPAC2-[2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-4-yl]ethanamine
SMILESCOc1ccc(-c2nc(CCN)cs2)c(F)c1
InChIInChI=1S/C12H13FN2OS/c1-16-9-2-3-10(11(13)6-9)12-15-8(4-5-14)7-17-12/h2-3,6-7H,4-5,14H2,1H3
InChIKeyBWLIFXTVNXMLRC-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.46
Rot. Bonds4

About 2-[2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-4-yl]ethanamine

2-[2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-4-yl]ethanamine (PubChem CID 81309552) has the molecular formula C12H13FN2OS and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-4-yl]ethanamine
PubChem CID81309552
Molecular FormulaC12H13FN2OS
Molecular Weight252.31 g/mol
Exact Mass252.07
IUPAC Name2-[2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-4-yl]ethanamine
SMILESCOc1ccc(-c2nc(CCN)cs2)c(F)c1
InChIInChI=1S/C12H13FN2OS/c1-16-9-2-3-10(11(13)6-9)12-15-8(4-5-14)7-17-12/h2-3,6-7H,4-5,14H2,1H3
InChIKeyBWLIFXTVNXMLRC-UHFFFAOYSA-N
XLogP2.46
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethanamine;dihydrochloride
CID 71779216
N-[[2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 81303969
3-[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]propan-1-amine
CID 116888275
2-[2-(2-chloro-4-fluorophenyl)-1,3-thiazol-4-yl]ethanamine
CID 62944104
5-(2-fluoro-4-methoxyphenyl)-1,2,4-thiadiazol-3-amine
CID 102885475
2-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]ethanamine
CID 22692340
2-(2-fluoro-4-methoxyphenyl)-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 46066843
[4-(2-fluoro-4-methoxyphenyl)phenyl]methanamine
CID 61034326
[2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone
CID 46068140
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanamine
CID 3799257
5-(2-fluoro-4-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazole
CID 136531235
[2-(2,5-dimethoxyphenyl)-1,3-thiazol-4-yl]methanol
CID 39354147

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of 2-[2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-4-yl]ethanamine (CID 81309552) is 2-[2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for 2-[2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for 2-[2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-4-yl]ethanamine is COc1ccc(-c2nc(CCN)cs2)c(F)c1.
What is the InChIKey of 2-[2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-4-yl]ethanamine?
The InChIKey is BWLIFXTVNXMLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2OS/c1-16-9-2-3-10(11(13)6-9)12-15-8(4-5-14)7-17-12/h2-3,6-7H,4-5,14H2,1H3.
What are the key properties of 2-[2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-4-yl]ethanamine?
2-[2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-4-yl]ethanamine has a molecular weight of 252.31 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 81309552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).