N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-4-methylpyridin-3-amine

C12H12Cl2N2S — CID 114082718

IUPACN-[1-(2,5-dichlorothiophen-3-yl)ethyl]-4-methylpyridin-3-amine
SMILESCc1ccncc1NC(C)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H12Cl2N2S/c1-7-3-4-15-6-10(7)16-8(2)9-5-11(13)17-12(9)14/h3-6,8,16H,1-2H3
InChIKeyCBRKYGLNDCEISZ-UHFFFAOYSA-N
MW287.22 g/mol
LogP4.93
Rot. Bonds3

About N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-4-methylpyridin-3-amine

N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-4-methylpyridin-3-amine (PubChem CID 114082718) has the molecular formula C12H12Cl2N2S and a molecular weight of 287.22 g/mol. Its IUPAC name is N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-4-methylpyridin-3-amine.

Molecular Properties

Compound NameN-[1-(2,5-dichlorothiophen-3-yl)ethyl]-4-methylpyridin-3-amine
PubChem CID114082718
Molecular FormulaC12H12Cl2N2S
Molecular Weight287.22 g/mol
Exact Mass286.01
IUPAC NameN-[1-(2,5-dichlorothiophen-3-yl)ethyl]-4-methylpyridin-3-amine
SMILESCc1ccncc1NC(C)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H12Cl2N2S/c1-7-3-4-15-6-10(7)16-8(2)9-5-11(13)17-12(9)14/h3-6,8,16H,1-2H3
InChIKeyCBRKYGLNDCEISZ-UHFFFAOYSA-N
XLogP4.93
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.22
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dichlorothiophen-3-yl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 107968631
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-2-fluoro-3-methylaniline
CID 114254499
2-chloro-N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-5-methylpyridin-3-amine
CID 114082835
2-bromo-N-[1-(2,5-dichlorothiophen-3-yl)ethyl]pyridin-3-amine
CID 114082836
4-methyl-N-(1-pyridin-4-ylethyl)pyridin-3-amine
CID 63329623
N-[1-(1,3-benzothiazol-2-yl)ethyl]-4-methylpyridin-3-amine
CID 63329441
4-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyridin-3-amine
CID 96824409
2-bromo-N-[1-(2,5-dichlorothiophen-3-yl)ethyl]aniline
CID 114082620
4-methyl-N-(1-naphthalen-2-ylethyl)pyridin-3-amine
CID 63329846
N-[1-(2-bromo-4-fluorophenyl)ethyl]-4-methylpyridin-3-amine
CID 113354114
1-(2,5-dichlorothiophen-3-yl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 113262767
4-chloro-N-[1-(3,4-dimethylphenyl)ethyl]pyridin-3-amine
CID 83164219

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-4-methylpyridin-3-amine?
The IUPAC name of N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-4-methylpyridin-3-amine (CID 114082718) is N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-4-methylpyridin-3-amine.
What is the SMILES notation for N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-4-methylpyridin-3-amine?
The canonical SMILES for N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-4-methylpyridin-3-amine is Cc1ccncc1NC(C)c1cc(Cl)sc1Cl.
What is the InChIKey of N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-4-methylpyridin-3-amine?
The InChIKey is CBRKYGLNDCEISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2S/c1-7-3-4-15-6-10(7)16-8(2)9-5-11(13)17-12(9)14/h3-6,8,16H,1-2H3.
What are the key properties of N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-4-methylpyridin-3-amine?
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-4-methylpyridin-3-amine has a molecular weight of 287.22 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-4-methylpyridin-3-amine is sourced from PubChem (CID 114082718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).