[2-fluoro-3-(1,3-thiazol-2-yl)phenyl]methanamine

C10H9FN2S — CID 83410764

IUPAC[2-fluoro-3-(1,3-thiazol-2-yl)phenyl]methanamine
SMILESNCc1cccc(-c2nccs2)c1F
InChIInChI=1S/C10H9FN2S/c11-9-7(6-12)2-1-3-8(9)10-13-4-5-14-10/h1-5H,6,12H2
InChIKeyXRBFKAZNTAHLDO-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.41
Rot. Bonds2

About [2-fluoro-3-(1,3-thiazol-2-yl)phenyl]methanamine

[2-fluoro-3-(1,3-thiazol-2-yl)phenyl]methanamine (PubChem CID 83410764) has the molecular formula C10H9FN2S and a molecular weight of 208.26 g/mol. Its IUPAC name is [2-fluoro-3-(1,3-thiazol-2-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2-fluoro-3-(1,3-thiazol-2-yl)phenyl]methanamine
PubChem CID83410764
Molecular FormulaC10H9FN2S
Molecular Weight208.26 g/mol
Exact Mass208.05
IUPAC Name[2-fluoro-3-(1,3-thiazol-2-yl)phenyl]methanamine
SMILESNCc1cccc(-c2nccs2)c1F
InChIInChI=1S/C10H9FN2S/c11-9-7(6-12)2-1-3-8(9)10-13-4-5-14-10/h1-5H,6,12H2
InChIKeyXRBFKAZNTAHLDO-UHFFFAOYSA-N
XLogP2.41
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-fluoro-3-(1,3-thiazol-2-yl)phenyl]methanamine?
The IUPAC name of [2-fluoro-3-(1,3-thiazol-2-yl)phenyl]methanamine (CID 83410764) is [2-fluoro-3-(1,3-thiazol-2-yl)phenyl]methanamine.
What is the SMILES notation for [2-fluoro-3-(1,3-thiazol-2-yl)phenyl]methanamine?
The canonical SMILES for [2-fluoro-3-(1,3-thiazol-2-yl)phenyl]methanamine is NCc1cccc(-c2nccs2)c1F.
What is the InChIKey of [2-fluoro-3-(1,3-thiazol-2-yl)phenyl]methanamine?
The InChIKey is XRBFKAZNTAHLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2S/c11-9-7(6-12)2-1-3-8(9)10-13-4-5-14-10/h1-5H,6,12H2.
What are the key properties of [2-fluoro-3-(1,3-thiazol-2-yl)phenyl]methanamine?
[2-fluoro-3-(1,3-thiazol-2-yl)phenyl]methanamine has a molecular weight of 208.26 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-3-(1,3-thiazol-2-yl)phenyl]methanamine is sourced from PubChem (CID 83410764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).