6-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-N-methylpyridine-2,6-diamine

C12H14ClN3S — CID 80804014

IUPAC6-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-N-methylpyridine-2,6-diamine
SMILESCNc1cccc(NC(C)c2ccc(Cl)s2)n1
InChIInChI=1S/C12H14ClN3S/c1-8(9-6-7-10(13)17-9)15-12-5-3-4-11(14-2)16-12/h3-8H,1-2H3,(H2,14,15,16)
InChIKeyNXAWNUYYIRUIHO-UHFFFAOYSA-N
MW267.79 g/mol
LogP4.01
Rot. Bonds4

About 6-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-N-methylpyridine-2,6-diamine

6-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-N-methylpyridine-2,6-diamine (PubChem CID 80804014) has the molecular formula C12H14ClN3S and a molecular weight of 267.79 g/mol. Its IUPAC name is 6-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-N-methylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-N-methylpyridine-2,6-diamine
PubChem CID80804014
Molecular FormulaC12H14ClN3S
Molecular Weight267.79 g/mol
Exact Mass267.06
IUPAC Name6-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-N-methylpyridine-2,6-diamine
SMILESCNc1cccc(NC(C)c2ccc(Cl)s2)n1
InChIInChI=1S/C12H14ClN3S/c1-8(9-6-7-10(13)17-9)15-12-5-3-4-11(14-2)16-12/h3-8H,1-2H3,(H2,14,15,16)
InChIKeyNXAWNUYYIRUIHO-UHFFFAOYSA-N
XLogP4.01
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.79
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[1-(5-chlorothiophen-2-yl)ethyl]-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80804116
4-N-[1-(5-chlorothiophen-2-yl)ethyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80803114
4-[1-(5-chlorothiophen-2-yl)ethylamino]-2-methyl-1H-pyrimidin-6-one
CID 136974797
2-N-[1-(5-chlorothiophen-2-yl)ethyl]pyrazine-2,5-diamine
CID 80653466
2,3-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline
CID 43439175
2-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,5-diamine
CID 61468919
N-[1-(5-chlorothiophen-2-yl)ethyl]-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
CID 80964990
N-[1-(5-chlorothiophen-2-yl)ethyl]quinolin-8-amine
CID 43438935
1-(5-chlorothiophen-2-yl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 43692517
N-[1-(5-chlorothiophen-2-yl)ethyl]pyridin-3-amine
CID 43438915
N-[1-(5-chlorothiophen-2-yl)ethyl]-6-hydrazinylpyrimidin-4-amine
CID 80897987
6-N-methyl-2-N-[1-(5-methylthiophen-2-yl)ethyl]pyrazine-2,6-diamine
CID 80800505

Frequently Asked Questions

What is the IUPAC name of 6-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-N-methylpyridine-2,6-diamine?
The IUPAC name of 6-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-N-methylpyridine-2,6-diamine (CID 80804014) is 6-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-N-methylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-N-methylpyridine-2,6-diamine?
The canonical SMILES for 6-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-N-methylpyridine-2,6-diamine is CNc1cccc(NC(C)c2ccc(Cl)s2)n1.
What is the InChIKey of 6-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-N-methylpyridine-2,6-diamine?
The InChIKey is NXAWNUYYIRUIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3S/c1-8(9-6-7-10(13)17-9)15-12-5-3-4-11(14-2)16-12/h3-8H,1-2H3,(H2,14,15,16).
What are the key properties of 6-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-N-methylpyridine-2,6-diamine?
6-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-N-methylpyridine-2,6-diamine has a molecular weight of 267.79 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-N-methylpyridine-2,6-diamine is sourced from PubChem (CID 80804014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).