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

C11H12ClN3S — CID 61468919

IUPAC2-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,5-diamine
SMILESCC(Nc1ccc(N)cn1)c1ccc(Cl)s1
InChIInChI=1S/C11H12ClN3S/c1-7(9-3-4-10(12)16-9)15-11-5-2-8(13)6-14-11/h2-7H,13H2,1H3,(H,14,15)
InChIKeyOQCZUZQYXKECAB-UHFFFAOYSA-N
MW253.76 g/mol
LogP3.55
Rot. Bonds3

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

2-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,5-diamine (PubChem CID 61468919) has the molecular formula C11H12ClN3S and a molecular weight of 253.76 g/mol. Its IUPAC name is 2-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,5-diamine
PubChem CID61468919
Molecular FormulaC11H12ClN3S
Molecular Weight253.76 g/mol
Exact Mass253.04
IUPAC Name2-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,5-diamine
SMILESCC(Nc1ccc(N)cn1)c1ccc(Cl)s1
InChIInChI=1S/C11H12ClN3S/c1-7(9-3-4-10(12)16-9)15-11-5-2-8(13)6-14-11/h2-7H,13H2,1H3,(H,14,15)
InChIKeyOQCZUZQYXKECAB-UHFFFAOYSA-N
XLogP3.55
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.76
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-[1-(5-chlorothiophen-2-yl)ethyl]pyrazine-2,5-diamine
CID 80653466
6-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-3-carbonitrile
CID 55025215
5-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,5-diamine
CID 61468979
N-[1-(5-chlorothiophen-2-yl)ethyl]-6-hydrazinylpyrimidin-4-amine
CID 80897987
5-amino-2-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-3-carbonitrile
CID 54954353
2-N-propan-2-ylpyridine-2,5-diamine
CID 16775330
3-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,3-diamine
CID 104540086
1-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-iodobenzene-1,4-diamine
CID 66093344
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
2-N-(1-pyridin-4-ylethyl)pyridine-2,5-diamine
CID 43524034
6-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-N-methylpyridine-2,6-diamine
CID 80804014

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,5-diamine?
The IUPAC name of 2-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,5-diamine (CID 61468919) is 2-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,5-diamine.
What is the SMILES notation for 2-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,5-diamine?
The canonical SMILES for 2-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,5-diamine is CC(Nc1ccc(N)cn1)c1ccc(Cl)s1.
What is the InChIKey of 2-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,5-diamine?
The InChIKey is OQCZUZQYXKECAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3S/c1-7(9-3-4-10(12)16-9)15-11-5-2-8(13)6-14-11/h2-7H,13H2,1H3,(H,14,15).
What are the key properties of 2-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,5-diamine?
2-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,5-diamine has a molecular weight of 253.76 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,5-diamine is sourced from PubChem (CID 61468919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).