2-(5-chlorothiophen-2-yl)-1-(5-methylpyrazin-2-yl)ethanamine

C11H12ClN3S — CID 105135301

IUPAC2-(5-chlorothiophen-2-yl)-1-(5-methylpyrazin-2-yl)ethanamine
SMILESCc1cnc(C(N)Cc2ccc(Cl)s2)cn1
InChIInChI=1S/C11H12ClN3S/c1-7-5-15-10(6-14-7)9(13)4-8-2-3-11(12)16-8/h2-3,5-6,9H,4,13H2,1H3
InChIKeyYEKGEZMNZMUKEL-UHFFFAOYSA-N
MW253.76 g/mol
LogP2.74
Rot. Bonds3

About 2-(5-chlorothiophen-2-yl)-1-(5-methylpyrazin-2-yl)ethanamine

2-(5-chlorothiophen-2-yl)-1-(5-methylpyrazin-2-yl)ethanamine (PubChem CID 105135301) has the molecular formula C11H12ClN3S and a molecular weight of 253.76 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-1-(5-methylpyrazin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-1-(5-methylpyrazin-2-yl)ethanamine
PubChem CID105135301
Molecular FormulaC11H12ClN3S
Molecular Weight253.76 g/mol
Exact Mass253.04
IUPAC Name2-(5-chlorothiophen-2-yl)-1-(5-methylpyrazin-2-yl)ethanamine
SMILESCc1cnc(C(N)Cc2ccc(Cl)s2)cn1
InChIInChI=1S/C11H12ClN3S/c1-7-5-15-10(6-14-7)9(13)4-8-2-3-11(12)16-8/h2-3,5-6,9H,4,13H2,1H3
InChIKeyYEKGEZMNZMUKEL-UHFFFAOYSA-N
XLogP2.74
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.76
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chlorothiophen-2-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 105135057
2-(2-chloro-3-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanamine
CID 105178948
2-(5-chlorothiophen-2-yl)-1-(2-phenyltriazol-4-yl)ethanamine
CID 105135061
1-(4-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethanamine
CID 62607560
2-(5-chlorothiophen-2-yl)-1-(2,5-dimethylfuran-3-yl)ethanamine
CID 115841648
2-(5-chlorothiophen-2-yl)-1-(1H-pyrazol-4-yl)ethanamine
CID 130573212
3-methyl-1-(5-methylpyrazin-2-yl)butan-1-amine
CID 105083357
2-(5-chlorothiophen-2-yl)-1-(4-ethylphenyl)ethanamine
CID 55095727
1-(5-chlorothiophen-2-yl)butan-2-amine;hydrochloride
CID 170888362
2-(5-chlorothiophen-2-yl)-1-(1-phenylpyrazol-3-yl)ethanamine
CID 105135243
[1-(5-chloro-2-pyridinyl)-2-(5-chlorothiophen-2-yl)ethyl]hydrazine
CID 105251592
1-(5-methylpyrazin-2-yl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 105114103

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-1-(5-methylpyrazin-2-yl)ethanamine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-1-(5-methylpyrazin-2-yl)ethanamine (CID 105135301) is 2-(5-chlorothiophen-2-yl)-1-(5-methylpyrazin-2-yl)ethanamine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-1-(5-methylpyrazin-2-yl)ethanamine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-1-(5-methylpyrazin-2-yl)ethanamine is Cc1cnc(C(N)Cc2ccc(Cl)s2)cn1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-1-(5-methylpyrazin-2-yl)ethanamine?
The InChIKey is YEKGEZMNZMUKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3S/c1-7-5-15-10(6-14-7)9(13)4-8-2-3-11(12)16-8/h2-3,5-6,9H,4,13H2,1H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-1-(5-methylpyrazin-2-yl)ethanamine?
2-(5-chlorothiophen-2-yl)-1-(5-methylpyrazin-2-yl)ethanamine has a molecular weight of 253.76 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-1-(5-methylpyrazin-2-yl)ethanamine is sourced from PubChem (CID 105135301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).