3-fluoro-N-[(4-methylthiophen-2-yl)methyl]pyrazin-2-amine

C10H10FN3S — CID 164648149

IUPAC3-fluoro-N-[(4-methylthiophen-2-yl)methyl]pyrazin-2-amine
SMILESCc1csc(CNc2nccnc2F)c1
InChIInChI=1S/C10H10FN3S/c1-7-4-8(15-6-7)5-14-10-9(11)12-2-3-13-10/h2-4,6H,5H2,1H3,(H,13,14)
InChIKeySBBLERMFDLBJNJ-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.60
Rot. Bonds3

About 3-fluoro-N-[(4-methylthiophen-2-yl)methyl]pyrazin-2-amine

3-fluoro-N-[(4-methylthiophen-2-yl)methyl]pyrazin-2-amine (PubChem CID 164648149) has the molecular formula C10H10FN3S and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-fluoro-N-[(4-methylthiophen-2-yl)methyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-fluoro-N-[(4-methylthiophen-2-yl)methyl]pyrazin-2-amine
PubChem CID164648149
Molecular FormulaC10H10FN3S
Molecular Weight223.28 g/mol
Exact Mass223.06
IUPAC Name3-fluoro-N-[(4-methylthiophen-2-yl)methyl]pyrazin-2-amine
SMILESCc1csc(CNc2nccnc2F)c1
InChIInChI=1S/C10H10FN3S/c1-7-4-8(15-6-7)5-14-10-9(11)12-2-3-13-10/h2-4,6H,5H2,1H3,(H,13,14)
InChIKeySBBLERMFDLBJNJ-UHFFFAOYSA-N
XLogP2.60
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(4-methylthiophen-2-yl)methyl]pyrazin-2-amine?
The IUPAC name of 3-fluoro-N-[(4-methylthiophen-2-yl)methyl]pyrazin-2-amine (CID 164648149) is 3-fluoro-N-[(4-methylthiophen-2-yl)methyl]pyrazin-2-amine.
What is the SMILES notation for 3-fluoro-N-[(4-methylthiophen-2-yl)methyl]pyrazin-2-amine?
The canonical SMILES for 3-fluoro-N-[(4-methylthiophen-2-yl)methyl]pyrazin-2-amine is Cc1csc(CNc2nccnc2F)c1.
What is the InChIKey of 3-fluoro-N-[(4-methylthiophen-2-yl)methyl]pyrazin-2-amine?
The InChIKey is SBBLERMFDLBJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3S/c1-7-4-8(15-6-7)5-14-10-9(11)12-2-3-13-10/h2-4,6H,5H2,1H3,(H,13,14).
What are the key properties of 3-fluoro-N-[(4-methylthiophen-2-yl)methyl]pyrazin-2-amine?
3-fluoro-N-[(4-methylthiophen-2-yl)methyl]pyrazin-2-amine has a molecular weight of 223.28 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(4-methylthiophen-2-yl)methyl]pyrazin-2-amine is sourced from PubChem (CID 164648149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).