3-(1-benzothiophen-7-yl)-5,6-dimethylpyrazin-2-amine

C14H13N3S — CID 81148217

IUPAC3-(1-benzothiophen-7-yl)-5,6-dimethylpyrazin-2-amine
SMILESCc1nc(N)c(-c2cccc3ccsc23)nc1C
InChIInChI=1S/C14H13N3S/c1-8-9(2)17-14(15)12(16-8)11-5-3-4-10-6-7-18-13(10)11/h3-7H,1-2H3,(H2,15,17)
InChIKeyUYWLUBLNBBRXDZ-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.56
Rot. Bonds1

About 3-(1-benzothiophen-7-yl)-5,6-dimethylpyrazin-2-amine

3-(1-benzothiophen-7-yl)-5,6-dimethylpyrazin-2-amine (PubChem CID 81148217) has the molecular formula C14H13N3S and a molecular weight of 255.35 g/mol. Its IUPAC name is 3-(1-benzothiophen-7-yl)-5,6-dimethylpyrazin-2-amine.

Molecular Properties

Compound Name3-(1-benzothiophen-7-yl)-5,6-dimethylpyrazin-2-amine
PubChem CID81148217
Molecular FormulaC14H13N3S
Molecular Weight255.35 g/mol
Exact Mass255.08
IUPAC Name3-(1-benzothiophen-7-yl)-5,6-dimethylpyrazin-2-amine
SMILESCc1nc(N)c(-c2cccc3ccsc23)nc1C
InChIInChI=1S/C14H13N3S/c1-8-9(2)17-14(15)12(16-8)11-5-3-4-10-6-7-18-13(10)11/h3-7H,1-2H3,(H2,15,17)
InChIKeyUYWLUBLNBBRXDZ-UHFFFAOYSA-N
XLogP3.56
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-7-yl)-5,6-dimethylpyrazin-2-amine?
The IUPAC name of 3-(1-benzothiophen-7-yl)-5,6-dimethylpyrazin-2-amine (CID 81148217) is 3-(1-benzothiophen-7-yl)-5,6-dimethylpyrazin-2-amine.
What is the SMILES notation for 3-(1-benzothiophen-7-yl)-5,6-dimethylpyrazin-2-amine?
The canonical SMILES for 3-(1-benzothiophen-7-yl)-5,6-dimethylpyrazin-2-amine is Cc1nc(N)c(-c2cccc3ccsc23)nc1C.
What is the InChIKey of 3-(1-benzothiophen-7-yl)-5,6-dimethylpyrazin-2-amine?
The InChIKey is UYWLUBLNBBRXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S/c1-8-9(2)17-14(15)12(16-8)11-5-3-4-10-6-7-18-13(10)11/h3-7H,1-2H3,(H2,15,17).
What are the key properties of 3-(1-benzothiophen-7-yl)-5,6-dimethylpyrazin-2-amine?
3-(1-benzothiophen-7-yl)-5,6-dimethylpyrazin-2-amine has a molecular weight of 255.35 g/mol, XLogP of 3.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-7-yl)-5,6-dimethylpyrazin-2-amine is sourced from PubChem (CID 81148217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).