2-chloro-6-cyclopropyl-7-methylthieno[2,3-b]pyrazine;ethane

C14H21ClN2S — CID 169232934

IUPAC2-chloro-6-cyclopropyl-7-methylthieno[2,3-b]pyrazine;ethane
SMILESCC.CC.Cc1c(C2CC2)sc2ncc(Cl)nc12
InChIInChI=1S/C10H9ClN2S.2C2H6/c1-5-8-10(12-4-7(11)13-8)14-9(5)6-2-3-6;2*1-2/h4,6H,2-3H2,1H3;2*1-2H3
InChIKeyVIZOVBNAJIPPQS-UHFFFAOYSA-N
MW284.86 g/mol
LogP5.58
Rot. Bonds1

About 2-chloro-6-cyclopropyl-7-methylthieno[2,3-b]pyrazine;ethane

2-chloro-6-cyclopropyl-7-methylthieno[2,3-b]pyrazine;ethane (PubChem CID 169232934) has the molecular formula C14H21ClN2S and a molecular weight of 284.86 g/mol. Its IUPAC name is 2-chloro-6-cyclopropyl-7-methylthieno[2,3-b]pyrazine;ethane.

Molecular Properties

Compound Name2-chloro-6-cyclopropyl-7-methylthieno[2,3-b]pyrazine;ethane
PubChem CID169232934
Molecular FormulaC14H21ClN2S
Molecular Weight284.86 g/mol
Exact Mass284.11
IUPAC Name2-chloro-6-cyclopropyl-7-methylthieno[2,3-b]pyrazine;ethane
SMILESCC.CC.Cc1c(C2CC2)sc2ncc(Cl)nc12
InChIInChI=1S/C10H9ClN2S.2C2H6/c1-5-8-10(12-4-7(11)13-8)14-9(5)6-2-3-6;2*1-2/h4,6H,2-3H2,1H3;2*1-2H3
InChIKeyVIZOVBNAJIPPQS-UHFFFAOYSA-N
XLogP5.58
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.86
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-cyclopropyl-7-methylthieno[2,3-b]pyrazine;ethane?
The IUPAC name of 2-chloro-6-cyclopropyl-7-methylthieno[2,3-b]pyrazine;ethane (CID 169232934) is 2-chloro-6-cyclopropyl-7-methylthieno[2,3-b]pyrazine;ethane.
What is the SMILES notation for 2-chloro-6-cyclopropyl-7-methylthieno[2,3-b]pyrazine;ethane?
The canonical SMILES for 2-chloro-6-cyclopropyl-7-methylthieno[2,3-b]pyrazine;ethane is CC.CC.Cc1c(C2CC2)sc2ncc(Cl)nc12.
What is the InChIKey of 2-chloro-6-cyclopropyl-7-methylthieno[2,3-b]pyrazine;ethane?
The InChIKey is VIZOVBNAJIPPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2S.2C2H6/c1-5-8-10(12-4-7(11)13-8)14-9(5)6-2-3-6;2*1-2/h4,6H,2-3H2,1H3;2*1-2H3.
What are the key properties of 2-chloro-6-cyclopropyl-7-methylthieno[2,3-b]pyrazine;ethane?
2-chloro-6-cyclopropyl-7-methylthieno[2,3-b]pyrazine;ethane has a molecular weight of 284.86 g/mol, XLogP of 5.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-cyclopropyl-7-methylthieno[2,3-b]pyrazine;ethane is sourced from PubChem (CID 169232934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).