[2-(5-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methanamine

C9H8FN3S — CID 79712640

IUPAC[2-(5-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methanamine
SMILESNCc1cnc(-c2ccc(F)cn2)s1
InChIInChI=1S/C9H8FN3S/c10-6-1-2-8(12-4-6)9-13-5-7(3-11)14-9/h1-2,4-5H,3,11H2
InChIKeyREANIVVDXFWPHZ-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.80
Rot. Bonds2

About [2-(5-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methanamine

[2-(5-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 79712640) has the molecular formula C9H8FN3S and a molecular weight of 209.25 g/mol. Its IUPAC name is [2-(5-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(5-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methanamine
PubChem CID79712640
Molecular FormulaC9H8FN3S
Molecular Weight209.25 g/mol
Exact Mass209.04
IUPAC Name[2-(5-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methanamine
SMILESNCc1cnc(-c2ccc(F)cn2)s1
InChIInChI=1S/C9H8FN3S/c10-6-1-2-8(12-4-6)9-13-5-7(3-11)14-9/h1-2,4-5H,3,11H2
InChIKeyREANIVVDXFWPHZ-UHFFFAOYSA-N
XLogP1.80
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(5-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(5-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methanamine (CID 79712640) is [2-(5-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(5-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(5-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methanamine is NCc1cnc(-c2ccc(F)cn2)s1.
What is the InChIKey of [2-(5-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is REANIVVDXFWPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3S/c10-6-1-2-8(12-4-6)9-13-5-7(3-11)14-9/h1-2,4-5H,3,11H2.
What are the key properties of [2-(5-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methanamine?
[2-(5-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 209.25 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 79712640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).