1-(2,5-dichlorothiophen-3-yl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine

C11H11Cl2N3OS — CID 114022188

IUPAC1-(2,5-dichlorothiophen-3-yl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
SMILESCNC(c1cc(Cl)sc1Cl)c1nccnc1OC
InChIInChI=1S/C11H11Cl2N3OS/c1-14-8(6-5-7(12)18-10(6)13)9-11(17-2)16-4-3-15-9/h3-5,8,14H,1-2H3
InChIKeyWESNQWOUKPTQGG-UHFFFAOYSA-N
MW304.20 g/mol
LogP3.16
Rot. Bonds4

About 1-(2,5-dichlorothiophen-3-yl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine

1-(2,5-dichlorothiophen-3-yl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine (PubChem CID 114022188) has the molecular formula C11H11Cl2N3OS and a molecular weight of 304.20 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
PubChem CID114022188
Molecular FormulaC11H11Cl2N3OS
Molecular Weight304.20 g/mol
Exact Mass303.00
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
SMILESCNC(c1cc(Cl)sc1Cl)c1nccnc1OC
InChIInChI=1S/C11H11Cl2N3OS/c1-14-8(6-5-7(12)18-10(6)13)9-11(17-2)16-4-3-15-9/h3-5,8,14H,1-2H3
InChIKeyWESNQWOUKPTQGG-UHFFFAOYSA-N
XLogP3.16
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.20
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chloro-2-fluorophenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
CID 104515629
1-(3-chloro-5-methylphenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
CID 105032260
1-(2,6-dichlorophenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
CID 105032038
1-(2,4-dimethoxyphenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
CID 105031778
1-(3-methoxypyrazin-2-yl)-N-methyl-1-(2-methyl-3-pyridinyl)methanamine
CID 105178585
1-(3,4-dimethylphenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
CID 105031923
1-(2-bromo-5-methoxyphenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
CID 105178788
1-(3-methoxyphenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
CID 104515256
1-(4-ethoxyphenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
CID 105032032
1-(2,5-dichlorothiophen-3-yl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 81127998
1-(3-methoxypyrazin-2-yl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 104515510
1-(2,5-dichlorothiophen-3-yl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 107968631

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine (CID 114022188) is 1-(2,5-dichlorothiophen-3-yl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine is CNC(c1cc(Cl)sc1Cl)c1nccnc1OC.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine?
The InChIKey is WESNQWOUKPTQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3OS/c1-14-8(6-5-7(12)18-10(6)13)9-11(17-2)16-4-3-15-9/h3-5,8,14H,1-2H3.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine?
1-(2,5-dichlorothiophen-3-yl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine has a molecular weight of 304.20 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophen-3-yl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine is sourced from PubChem (CID 114022188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).