5-chloro-N-thiophen-3-ylpyrazin-2-amine

C8H6ClN3S — CID 131197433

IUPAC5-chloro-N-thiophen-3-ylpyrazin-2-amine
SMILESClc1cnc(Nc2ccsc2)cn1
InChIInChI=1S/C8H6ClN3S/c9-7-3-11-8(4-10-7)12-6-1-2-13-5-6/h1-5H,(H,11,12)
InChIKeyPMOJUKBGRBVYNZ-UHFFFAOYSA-N
MW211.68 g/mol
LogP2.94
Rot. Bonds2

About 5-chloro-N-thiophen-3-ylpyrazin-2-amine

5-chloro-N-thiophen-3-ylpyrazin-2-amine (PubChem CID 131197433) has the molecular formula C8H6ClN3S and a molecular weight of 211.68 g/mol. Its IUPAC name is 5-chloro-N-thiophen-3-ylpyrazin-2-amine.

Molecular Properties

Compound Name5-chloro-N-thiophen-3-ylpyrazin-2-amine
PubChem CID131197433
Molecular FormulaC8H6ClN3S
Molecular Weight211.68 g/mol
Exact Mass211.00
IUPAC Name5-chloro-N-thiophen-3-ylpyrazin-2-amine
SMILESClc1cnc(Nc2ccsc2)cn1
InChIInChI=1S/C8H6ClN3S/c9-7-3-11-8(4-10-7)12-6-1-2-13-5-6/h1-5H,(H,11,12)
InChIKeyPMOJUKBGRBVYNZ-UHFFFAOYSA-N
XLogP2.94
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.68
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-thiophen-3-ylpyrazin-2-amine?
The IUPAC name of 5-chloro-N-thiophen-3-ylpyrazin-2-amine (CID 131197433) is 5-chloro-N-thiophen-3-ylpyrazin-2-amine.
What is the SMILES notation for 5-chloro-N-thiophen-3-ylpyrazin-2-amine?
The canonical SMILES for 5-chloro-N-thiophen-3-ylpyrazin-2-amine is Clc1cnc(Nc2ccsc2)cn1.
What is the InChIKey of 5-chloro-N-thiophen-3-ylpyrazin-2-amine?
The InChIKey is PMOJUKBGRBVYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3S/c9-7-3-11-8(4-10-7)12-6-1-2-13-5-6/h1-5H,(H,11,12).
What are the key properties of 5-chloro-N-thiophen-3-ylpyrazin-2-amine?
5-chloro-N-thiophen-3-ylpyrazin-2-amine has a molecular weight of 211.68 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-thiophen-3-ylpyrazin-2-amine is sourced from PubChem (CID 131197433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).