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

C11H12ClN3S — CID 104540086

IUPAC3-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,3-diamine
SMILESCC(Nc1cccnc1N)c1ccc(Cl)s1
InChIInChI=1S/C11H12ClN3S/c1-7(9-4-5-10(12)16-9)15-8-3-2-6-14-11(8)13/h2-7,15H,1H3,(H2,13,14)
InChIKeyRTGBTAHGEXODDY-UHFFFAOYSA-N
MW253.76 g/mol
LogP3.55
Rot. Bonds3

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

3-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,3-diamine (PubChem CID 104540086) has the molecular formula C11H12ClN3S and a molecular weight of 253.76 g/mol. Its IUPAC name is 3-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,3-diamine
PubChem CID104540086
Molecular FormulaC11H12ClN3S
Molecular Weight253.76 g/mol
Exact Mass253.04
IUPAC Name3-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,3-diamine
SMILESCC(Nc1cccnc1N)c1ccc(Cl)s1
InChIInChI=1S/C11H12ClN3S/c1-7(9-4-5-10(12)16-9)15-8-3-2-6-14-11(8)13/h2-7,15H,1H3,(H2,13,14)
InChIKeyRTGBTAHGEXODDY-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

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Related Compounds

N-[1-(5-chlorothiophen-2-yl)ethyl]quinolin-8-amine
CID 43438935
4-N-[1-(5-chlorothiophen-2-yl)ethyl]quinoline-4,8-diamine
CID 83060731
4-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-3,4-diamine
CID 61469011
2,3-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline
CID 43439175
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-propan-2-ylaniline
CID 43381990
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylsulfanylaniline
CID 43683406
3-N-propan-2-ylpyridine-2,3-diamine
CID 58213244
N-[1-(5-chlorothiophen-2-yl)ethyl]quinolin-4-amine
CID 61472818
N-[1-(5-chlorothiophen-2-yl)ethyl]pyridin-3-amine
CID 43438915
2-amino-3-[1-(5-chlorothiophen-2-yl)ethylamino]benzamide
CID 113332730
2-amino-3-[1-(5-chlorothiophen-2-yl)ethylamino]benzonitrile
CID 104716465
N-[1-(5-bromothiophen-2-yl)ethyl]-2-methylpyridin-3-amine
CID 79042136

Frequently Asked Questions

What is the IUPAC name of 3-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,3-diamine?
The IUPAC name of 3-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,3-diamine (CID 104540086) is 3-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,3-diamine.
What is the SMILES notation for 3-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,3-diamine?
The canonical SMILES for 3-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,3-diamine is CC(Nc1cccnc1N)c1ccc(Cl)s1.
What is the InChIKey of 3-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,3-diamine?
The InChIKey is RTGBTAHGEXODDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3S/c1-7(9-4-5-10(12)16-9)15-8-3-2-6-14-11(8)13/h2-7,15H,1H3,(H2,13,14).
What are the key properties of 3-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,3-diamine?
3-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,3-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 3-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,3-diamine is sourced from PubChem (CID 104540086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).