2-N-[1-(5-chlorothiophen-2-yl)ethyl]pyrazine-2,5-diamine

C10H11ClN4S — CID 80653466

IUPAC2-N-[1-(5-chlorothiophen-2-yl)ethyl]pyrazine-2,5-diamine
SMILESCC(Nc1cnc(N)cn1)c1ccc(Cl)s1
InChIInChI=1S/C10H11ClN4S/c1-6(7-2-3-8(11)16-7)15-10-5-13-9(12)4-14-10/h2-6H,1H3,(H2,12,13)(H,14,15)
InChIKeyAXJJHLKZMQPFFJ-UHFFFAOYSA-N
MW254.75 g/mol
LogP2.95
Rot. Bonds3

About 2-N-[1-(5-chlorothiophen-2-yl)ethyl]pyrazine-2,5-diamine

2-N-[1-(5-chlorothiophen-2-yl)ethyl]pyrazine-2,5-diamine (PubChem CID 80653466) has the molecular formula C10H11ClN4S and a molecular weight of 254.75 g/mol. Its IUPAC name is 2-N-[1-(5-chlorothiophen-2-yl)ethyl]pyrazine-2,5-diamine.

Molecular Properties

Compound Name2-N-[1-(5-chlorothiophen-2-yl)ethyl]pyrazine-2,5-diamine
PubChem CID80653466
Molecular FormulaC10H11ClN4S
Molecular Weight254.75 g/mol
Exact Mass254.04
IUPAC Name2-N-[1-(5-chlorothiophen-2-yl)ethyl]pyrazine-2,5-diamine
SMILESCC(Nc1cnc(N)cn1)c1ccc(Cl)s1
InChIInChI=1S/C10H11ClN4S/c1-6(7-2-3-8(11)16-7)15-10-5-13-9(12)4-14-10/h2-6H,1H3,(H2,12,13)(H,14,15)
InChIKeyAXJJHLKZMQPFFJ-UHFFFAOYSA-N
XLogP2.95
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.75
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,5-diamine
CID 61468919
5-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,5-diamine
CID 61468979
6-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-3-carbonitrile
CID 55025215
N-[1-(5-chlorothiophen-2-yl)ethyl]-6-hydrazinylpyrimidin-4-amine
CID 80897987
4-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-cyclopropylpyrimidine-4,6-diamine
CID 80961862
3-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,3-diamine
CID 104540086
4-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-3,4-diamine
CID 61469011
N-[1-(5-chlorothiophen-2-yl)ethyl]-5-methyl-4-nitropyridin-2-amine
CID 83267989
6-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-N-methylpyridine-2,6-diamine
CID 80804014
N-[1-(5-chlorothiophen-2-yl)ethyl]-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
CID 80964990
1-(5-chlorothiophen-2-yl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 43692517
2-N-[1-(4-methylphenyl)ethyl]pyrazine-2,5-diamine
CID 80652605

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(5-chlorothiophen-2-yl)ethyl]pyrazine-2,5-diamine?
The IUPAC name of 2-N-[1-(5-chlorothiophen-2-yl)ethyl]pyrazine-2,5-diamine (CID 80653466) is 2-N-[1-(5-chlorothiophen-2-yl)ethyl]pyrazine-2,5-diamine.
What is the SMILES notation for 2-N-[1-(5-chlorothiophen-2-yl)ethyl]pyrazine-2,5-diamine?
The canonical SMILES for 2-N-[1-(5-chlorothiophen-2-yl)ethyl]pyrazine-2,5-diamine is CC(Nc1cnc(N)cn1)c1ccc(Cl)s1.
What is the InChIKey of 2-N-[1-(5-chlorothiophen-2-yl)ethyl]pyrazine-2,5-diamine?
The InChIKey is AXJJHLKZMQPFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4S/c1-6(7-2-3-8(11)16-7)15-10-5-13-9(12)4-14-10/h2-6H,1H3,(H2,12,13)(H,14,15).
What are the key properties of 2-N-[1-(5-chlorothiophen-2-yl)ethyl]pyrazine-2,5-diamine?
2-N-[1-(5-chlorothiophen-2-yl)ethyl]pyrazine-2,5-diamine has a molecular weight of 254.75 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(5-chlorothiophen-2-yl)ethyl]pyrazine-2,5-diamine is sourced from PubChem (CID 80653466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).