3-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazin-2-amine

C9H9FN4S — CID 164657187

IUPAC3-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazin-2-amine
SMILESCc1ncsc1CNc1nccnc1F
InChIInChI=1S/C9H9FN4S/c1-6-7(15-5-14-6)4-13-9-8(10)11-2-3-12-9/h2-3,5H,4H2,1H3,(H,12,13)
InChIKeyKENGGSWFFVWXPB-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.99
Rot. Bonds3

About 3-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazin-2-amine

3-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazin-2-amine (PubChem CID 164657187) has the molecular formula C9H9FN4S and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazin-2-amine
PubChem CID164657187
Molecular FormulaC9H9FN4S
Molecular Weight224.26 g/mol
Exact Mass224.05
IUPAC Name3-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazin-2-amine
SMILESCc1ncsc1CNc1nccnc1F
InChIInChI=1S/C9H9FN4S/c1-6-7(15-5-14-6)4-13-9-8(10)11-2-3-12-9/h2-3,5H,4H2,1H3,(H,12,13)
InChIKeyKENGGSWFFVWXPB-UHFFFAOYSA-N
XLogP1.99
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazin-2-amine?
The IUPAC name of 3-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazin-2-amine (CID 164657187) is 3-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazin-2-amine.
What is the SMILES notation for 3-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazin-2-amine?
The canonical SMILES for 3-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazin-2-amine is Cc1ncsc1CNc1nccnc1F.
What is the InChIKey of 3-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazin-2-amine?
The InChIKey is KENGGSWFFVWXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4S/c1-6-7(15-5-14-6)4-13-9-8(10)11-2-3-12-9/h2-3,5H,4H2,1H3,(H,12,13).
What are the key properties of 3-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazin-2-amine?
3-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazin-2-amine has a molecular weight of 224.26 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazin-2-amine is sourced from PubChem (CID 164657187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).