5-(3,5-dichlorothiophen-2-yl)-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine

C16H21Cl2N3OS — CID 23595026

IUPAC5-(3,5-dichlorothiophen-2-yl)-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine
SMILESCCc1nc(NC(CC)CC)c(OC)nc1-c1sc(Cl)cc1Cl
InChIInChI=1S/C16H21Cl2N3OS/c1-5-9(6-2)19-15-16(22-4)21-13(11(7-3)20-15)14-10(17)8-12(18)23-14/h8-9H,5-7H2,1-4H3,(H,19,20)
InChIKeyAJEYFPGDVJOVLI-UHFFFAOYSA-N
MW374.34 g/mol
LogP5.68
Rot. Bonds7

About 5-(3,5-dichlorothiophen-2-yl)-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine

5-(3,5-dichlorothiophen-2-yl)-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine (PubChem CID 23595026) has the molecular formula C16H21Cl2N3OS and a molecular weight of 374.34 g/mol. Its IUPAC name is 5-(3,5-dichlorothiophen-2-yl)-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine.

Molecular Properties

Compound Name5-(3,5-dichlorothiophen-2-yl)-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine
PubChem CID23595026
Molecular FormulaC16H21Cl2N3OS
Molecular Weight374.34 g/mol
Exact Mass373.08
IUPAC Name5-(3,5-dichlorothiophen-2-yl)-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine
SMILESCCc1nc(NC(CC)CC)c(OC)nc1-c1sc(Cl)cc1Cl
InChIInChI=1S/C16H21Cl2N3OS/c1-5-9(6-2)19-15-16(22-4)21-13(11(7-3)20-15)14-10(17)8-12(18)23-14/h8-9H,5-7H2,1-4H3,(H,19,20)
InChIKeyAJEYFPGDVJOVLI-UHFFFAOYSA-N
XLogP5.68
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.34
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dichlorothiophen-2-yl)-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine?
The IUPAC name of 5-(3,5-dichlorothiophen-2-yl)-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine (CID 23595026) is 5-(3,5-dichlorothiophen-2-yl)-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine.
What is the SMILES notation for 5-(3,5-dichlorothiophen-2-yl)-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine?
The canonical SMILES for 5-(3,5-dichlorothiophen-2-yl)-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine is CCc1nc(NC(CC)CC)c(OC)nc1-c1sc(Cl)cc1Cl.
What is the InChIKey of 5-(3,5-dichlorothiophen-2-yl)-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine?
The InChIKey is AJEYFPGDVJOVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2N3OS/c1-5-9(6-2)19-15-16(22-4)21-13(11(7-3)20-15)14-10(17)8-12(18)23-14/h8-9H,5-7H2,1-4H3,(H,19,20).
What are the key properties of 5-(3,5-dichlorothiophen-2-yl)-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine?
5-(3,5-dichlorothiophen-2-yl)-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine has a molecular weight of 374.34 g/mol, XLogP of 5.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dichlorothiophen-2-yl)-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine is sourced from PubChem (CID 23595026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).