4-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-3,4-diamine

C11H12ClN3S — CID 61469011

IUPAC4-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-3,4-diamine
SMILESCC(Nc1ccncc1N)c1ccc(Cl)s1
InChIInChI=1S/C11H12ClN3S/c1-7(10-2-3-11(12)16-10)15-9-4-5-14-6-8(9)13/h2-7H,13H2,1H3,(H,14,15)
InChIKeyAERBRPIUGXWNIP-UHFFFAOYSA-N
MW253.76 g/mol
LogP3.55
Rot. Bonds3

About 4-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-3,4-diamine

4-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-3,4-diamine (PubChem CID 61469011) has the molecular formula C11H12ClN3S and a molecular weight of 253.76 g/mol. Its IUPAC name is 4-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-3,4-diamine
PubChem CID61469011
Molecular FormulaC11H12ClN3S
Molecular Weight253.76 g/mol
Exact Mass253.04
IUPAC Name4-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-3,4-diamine
SMILESCC(Nc1ccncc1N)c1ccc(Cl)s1
InChIInChI=1S/C11H12ClN3S/c1-7(10-2-3-11(12)16-10)15-9-4-5-14-6-8(9)13/h2-7H,13H2,1H3,(H,14,15)
InChIKeyAERBRPIUGXWNIP-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 4-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-3,4-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

N-[1-(5-chlorothiophen-2-yl)ethyl]pyridin-3-amine
CID 43438915
3-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,3-diamine
CID 104540086
4-N-[1-(5-chlorothiophen-2-yl)ethyl]quinoline-4,8-diamine
CID 83060731
3-amino-4-[1-(5-chlorothiophen-2-yl)ethylamino]benzonitrile
CID 54955056
5-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,5-diamine
CID 61468979
2-N-[1-(5-chlorothiophen-2-yl)ethyl]pyrazine-2,5-diamine
CID 80653466
4-N-[1-(3-chlorophenyl)ethyl]pyridine-3,4-diamine
CID 54964841
6-N-[1-(5-chlorothiophen-2-yl)ethyl]-1H-indazole-5,6-diamine
CID 107489383
1-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-methylsulfonylbenzene-1,2-diamine
CID 61468882
2-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,5-diamine
CID 61468919
N-[1-(5-chlorothiophen-2-yl)ethyl]quinolin-4-amine
CID 61472818
4-N-[1-(4-fluorophenyl)ethyl]pyridine-3,4-diamine
CID 54965311

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-3,4-diamine?
The IUPAC name of 4-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-3,4-diamine (CID 61469011) is 4-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-3,4-diamine.
What is the SMILES notation for 4-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-3,4-diamine?
The canonical SMILES for 4-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-3,4-diamine is CC(Nc1ccncc1N)c1ccc(Cl)s1.
What is the InChIKey of 4-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-3,4-diamine?
The InChIKey is AERBRPIUGXWNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3S/c1-7(10-2-3-11(12)16-10)15-9-4-5-14-6-8(9)13/h2-7H,13H2,1H3,(H,14,15).
What are the key properties of 4-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-3,4-diamine?
4-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-3,4-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 4-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-3,4-diamine is sourced from PubChem (CID 61469011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).