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

C11H12ClN3S — CID 61468979

IUPAC5-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,5-diamine
SMILESCC(Nc1ccc(N)nc1)c1ccc(Cl)s1
InChIInChI=1S/C11H12ClN3S/c1-7(9-3-4-10(12)16-9)15-8-2-5-11(13)14-6-8/h2-7,15H,1H3,(H2,13,14)
InChIKeyKZQBWAMOUFMDDR-UHFFFAOYSA-N
MW253.76 g/mol
LogP3.55
Rot. Bonds3

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

5-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,5-diamine (PubChem CID 61468979) has the molecular formula C11H12ClN3S and a molecular weight of 253.76 g/mol. Its IUPAC name is 5-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,5-diamine
PubChem CID61468979
Molecular FormulaC11H12ClN3S
Molecular Weight253.76 g/mol
Exact Mass253.04
IUPAC Name5-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,5-diamine
SMILESCC(Nc1ccc(N)nc1)c1ccc(Cl)s1
InChIInChI=1S/C11H12ClN3S/c1-7(9-3-4-10(12)16-9)15-8-2-5-11(13)14-6-8/h2-7,15H,1H3,(H2,13,14)
InChIKeyKZQBWAMOUFMDDR-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

2-N-[1-(5-chlorothiophen-2-yl)ethyl]pyrazine-2,5-diamine
CID 80653466
4-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylbenzene-1,4-diamine
CID 54954956
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-propan-2-ylaniline
CID 43381993
2-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,5-diamine
CID 61468919
N-[1-(5-chlorothiophen-2-yl)ethyl]pyridin-3-amine
CID 43438915
N-[1-(5-chlorothiophen-2-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
CID 43677189
3,5-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline
CID 43438966
4-[1-(5-chlorothiophen-2-yl)ethylamino]benzenecarbothioamide
CID 54954931
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(1,3-thiazol-2-yl)aniline
CID 60927533
4-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-2-carboxamide
CID 54954320
N-[1-(5-chlorothiophen-2-yl)ethyl]-3,5-dimethoxyaniline
CID 43438960
3-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,3-diamine
CID 104540086

Frequently Asked Questions

What is the IUPAC name of 5-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,5-diamine?
The IUPAC name of 5-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,5-diamine (CID 61468979) is 5-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,5-diamine.
What is the SMILES notation for 5-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,5-diamine?
The canonical SMILES for 5-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,5-diamine is CC(Nc1ccc(N)nc1)c1ccc(Cl)s1.
What is the InChIKey of 5-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,5-diamine?
The InChIKey is KZQBWAMOUFMDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3S/c1-7(9-3-4-10(12)16-9)15-8-2-5-11(13)14-6-8/h2-7,15H,1H3,(H2,13,14).
What are the key properties of 5-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,5-diamine?
5-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 5-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,5-diamine is sourced from PubChem (CID 61468979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).