N-[(5-chlorothiophen-2-yl)methyl]-3-fluoropyrazin-2-amine

C9H7ClFN3S — CID 164657205

IUPACN-[(5-chlorothiophen-2-yl)methyl]-3-fluoropyrazin-2-amine
SMILESFc1nccnc1NCc1ccc(Cl)s1
InChIInChI=1S/C9H7ClFN3S/c10-7-2-1-6(15-7)5-14-9-8(11)12-3-4-13-9/h1-4H,5H2,(H,13,14)
InChIKeyQDUDJNDFEXZCMS-UHFFFAOYSA-N
MW243.69 g/mol
LogP2.94
Rot. Bonds3

About N-[(5-chlorothiophen-2-yl)methyl]-3-fluoropyrazin-2-amine

N-[(5-chlorothiophen-2-yl)methyl]-3-fluoropyrazin-2-amine (PubChem CID 164657205) has the molecular formula C9H7ClFN3S and a molecular weight of 243.69 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-3-fluoropyrazin-2-amine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-3-fluoropyrazin-2-amine
PubChem CID164657205
Molecular FormulaC9H7ClFN3S
Molecular Weight243.69 g/mol
Exact Mass243.00
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-3-fluoropyrazin-2-amine
SMILESFc1nccnc1NCc1ccc(Cl)s1
InChIInChI=1S/C9H7ClFN3S/c10-7-2-1-6(15-7)5-14-9-8(11)12-3-4-13-9/h1-4H,5H2,(H,13,14)
InChIKeyQDUDJNDFEXZCMS-UHFFFAOYSA-N
XLogP2.94
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-3-fluoropyrazin-2-amine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-3-fluoropyrazin-2-amine (CID 164657205) is N-[(5-chlorothiophen-2-yl)methyl]-3-fluoropyrazin-2-amine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-3-fluoropyrazin-2-amine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-3-fluoropyrazin-2-amine is Fc1nccnc1NCc1ccc(Cl)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-3-fluoropyrazin-2-amine?
The InChIKey is QDUDJNDFEXZCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClFN3S/c10-7-2-1-6(15-7)5-14-9-8(11)12-3-4-13-9/h1-4H,5H2,(H,13,14).
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-3-fluoropyrazin-2-amine?
N-[(5-chlorothiophen-2-yl)methyl]-3-fluoropyrazin-2-amine has a molecular weight of 243.69 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-3-fluoropyrazin-2-amine is sourced from PubChem (CID 164657205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).