3-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]pyrazin-2-amine

C9H9FN4S — CID 164657188

IUPAC3-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]pyrazin-2-amine
SMILESFc1nccnc1NCCc1cscn1
InChIInChI=1S/C9H9FN4S/c10-8-9(13-4-3-11-8)12-2-1-7-5-15-6-14-7/h3-6H,1-2H2,(H,12,13)
InChIKeyQMTSKYCYYUPCJZ-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.73
Rot. Bonds4

About 3-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]pyrazin-2-amine

3-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]pyrazin-2-amine (PubChem CID 164657188) has the molecular formula C9H9FN4S and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]pyrazin-2-amine
PubChem CID164657188
Molecular FormulaC9H9FN4S
Molecular Weight224.26 g/mol
Exact Mass224.05
IUPAC Name3-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]pyrazin-2-amine
SMILESFc1nccnc1NCCc1cscn1
InChIInChI=1S/C9H9FN4S/c10-8-9(13-4-3-11-8)12-2-1-7-5-15-6-14-7/h3-6H,1-2H2,(H,12,13)
InChIKeyQMTSKYCYYUPCJZ-UHFFFAOYSA-N
XLogP1.73
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]pyrazin-2-amine?
The IUPAC name of 3-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]pyrazin-2-amine (CID 164657188) is 3-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]pyrazin-2-amine.
What is the SMILES notation for 3-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]pyrazin-2-amine?
The canonical SMILES for 3-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]pyrazin-2-amine is Fc1nccnc1NCCc1cscn1.
What is the InChIKey of 3-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]pyrazin-2-amine?
The InChIKey is QMTSKYCYYUPCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4S/c10-8-9(13-4-3-11-8)12-2-1-7-5-15-6-14-7/h3-6H,1-2H2,(H,12,13).
What are the key properties of 3-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]pyrazin-2-amine?
3-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]pyrazin-2-amine has a molecular weight of 224.26 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]pyrazin-2-amine is sourced from PubChem (CID 164657188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).