N-[1-(5-chlorothiophen-2-yl)ethyl]pyridin-3-amine

C11H11ClN2S — CID 43438915

IUPACN-[1-(5-chlorothiophen-2-yl)ethyl]pyridin-3-amine
SMILESCC(Nc1cccnc1)c1ccc(Cl)s1
InChIInChI=1S/C11H11ClN2S/c1-8(10-4-5-11(12)15-10)14-9-3-2-6-13-7-9/h2-8,14H,1H3
InChIKeyOQOOZNQUNOZCGL-UHFFFAOYSA-N
MW238.74 g/mol
LogP3.97
Rot. Bonds3

About N-[1-(5-chlorothiophen-2-yl)ethyl]pyridin-3-amine

N-[1-(5-chlorothiophen-2-yl)ethyl]pyridin-3-amine (PubChem CID 43438915) has the molecular formula C11H11ClN2S and a molecular weight of 238.74 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)ethyl]pyridin-3-amine.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)ethyl]pyridin-3-amine
PubChem CID43438915
Molecular FormulaC11H11ClN2S
Molecular Weight238.74 g/mol
Exact Mass238.03
IUPAC NameN-[1-(5-chlorothiophen-2-yl)ethyl]pyridin-3-amine
SMILESCC(Nc1cccnc1)c1ccc(Cl)s1
InChIInChI=1S/C11H11ClN2S/c1-8(10-4-5-11(12)15-10)14-9-3-2-6-13-7-9/h2-8,14H,1H3
InChIKeyOQOOZNQUNOZCGL-UHFFFAOYSA-N
XLogP3.97
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.74
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-3,4-diamine
CID 61469011
5-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,5-diamine
CID 61468979
3,5-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline
CID 43438966
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-propan-2-ylaniline
CID 43381993
3-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,3-diamine
CID 104540086
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(1,3-thiazol-2-yl)aniline
CID 60927533
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(1H-pyrazol-5-yl)aniline
CID 43733318
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
(1S)-N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-1-pyridin-3-ylethanamine
CID 81391932
N-[1-(5-chlorothiophen-2-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
CID 43677189
N-[1-(5-chlorothiophen-2-yl)ethyl]-3,5-dimethoxyaniline
CID 43438960

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]pyridin-3-amine?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]pyridin-3-amine (CID 43438915) is N-[1-(5-chlorothiophen-2-yl)ethyl]pyridin-3-amine.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)ethyl]pyridin-3-amine?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)ethyl]pyridin-3-amine is CC(Nc1cccnc1)c1ccc(Cl)s1.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)ethyl]pyridin-3-amine?
The InChIKey is OQOOZNQUNOZCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2S/c1-8(10-4-5-11(12)15-10)14-9-3-2-6-13-7-9/h2-8,14H,1H3.
What are the key properties of N-[1-(5-chlorothiophen-2-yl)ethyl]pyridin-3-amine?
N-[1-(5-chlorothiophen-2-yl)ethyl]pyridin-3-amine has a molecular weight of 238.74 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-2-yl)ethyl]pyridin-3-amine is sourced from PubChem (CID 43438915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).