N-[1-(4-bromothiophen-2-yl)ethyl]-6-morpholin-4-ylpyridin-3-amine

C15H18BrN3OS — CID 107167817

IUPACN-[1-(4-bromothiophen-2-yl)ethyl]-6-morpholin-4-ylpyridin-3-amine
SMILESCC(Nc1ccc(N2CCOCC2)nc1)c1cc(Br)cs1
InChIInChI=1S/C15H18BrN3OS/c1-11(14-8-12(16)10-21-14)18-13-2-3-15(17-9-13)19-4-6-20-7-5-19/h2-3,8-11,18H,4-7H2,1H3
InChIKeyOJNMBQPRWTYFSZ-UHFFFAOYSA-N
MW368.30 g/mol
LogP3.92
Rot. Bonds4

About N-[1-(4-bromothiophen-2-yl)ethyl]-6-morpholin-4-ylpyridin-3-amine

N-[1-(4-bromothiophen-2-yl)ethyl]-6-morpholin-4-ylpyridin-3-amine (PubChem CID 107167817) has the molecular formula C15H18BrN3OS and a molecular weight of 368.30 g/mol. Its IUPAC name is N-[1-(4-bromothiophen-2-yl)ethyl]-6-morpholin-4-ylpyridin-3-amine.

Molecular Properties

Compound NameN-[1-(4-bromothiophen-2-yl)ethyl]-6-morpholin-4-ylpyridin-3-amine
PubChem CID107167817
Molecular FormulaC15H18BrN3OS
Molecular Weight368.30 g/mol
Exact Mass367.04
IUPAC NameN-[1-(4-bromothiophen-2-yl)ethyl]-6-morpholin-4-ylpyridin-3-amine
SMILESCC(Nc1ccc(N2CCOCC2)nc1)c1cc(Br)cs1
InChIInChI=1S/C15H18BrN3OS/c1-11(14-8-12(16)10-21-14)18-13-2-3-15(17-9-13)19-4-6-20-7-5-19/h2-3,8-11,18H,4-7H2,1H3
InChIKeyOJNMBQPRWTYFSZ-UHFFFAOYSA-N
XLogP3.92
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.30
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(4-bromothiophen-2-yl)ethyl]-6-morpholin-4-ylpyridin-3-amine 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-(4-bromothiophen-2-yl)ethyl]-4-morpholin-4-ylaniline
CID 107167664
6-morpholin-4-yl-N-(1-pyridin-4-ylethyl)pyridin-3-amine
CID 43724774
N-[1-(4-iodophenyl)ethyl]-6-morpholin-4-ylpyridin-3-amine
CID 112831674
N-(1-cyclopentylethyl)-6-morpholin-4-ylpyridin-3-amine
CID 62631562
N-[1-(4-bromophenyl)ethyl]-6-pyrrolidin-1-ylpyridin-3-amine
CID 43689538
N'-tert-butyl-N-(6-morpholin-4-yl-3-pyridinyl)ethane-1,2-diamine
CID 107445126
2-(4-bromophenoxy)-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
CID 24590426
N-[1-(5-methylthiophen-2-yl)ethyl]-6-piperidin-1-ylpyridin-3-amine
CID 43690335
N-[cyclopentyl(thiophen-2-yl)methyl]-6-morpholin-4-ylpyridin-3-amine
CID 112831677
4-(5-propan-2-yl-2-pyridinyl)morpholine
CID 20750181
N-[(4,5-dibromofuran-2-yl)methyl]-6-morpholin-4-ylpyridin-3-amine
CID 62084831
N-(3-methoxy-2-methylpropyl)-6-morpholin-4-ylpyridin-3-amine
CID 116501035

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromothiophen-2-yl)ethyl]-6-morpholin-4-ylpyridin-3-amine?
The IUPAC name of N-[1-(4-bromothiophen-2-yl)ethyl]-6-morpholin-4-ylpyridin-3-amine (CID 107167817) is N-[1-(4-bromothiophen-2-yl)ethyl]-6-morpholin-4-ylpyridin-3-amine.
What is the SMILES notation for N-[1-(4-bromothiophen-2-yl)ethyl]-6-morpholin-4-ylpyridin-3-amine?
The canonical SMILES for N-[1-(4-bromothiophen-2-yl)ethyl]-6-morpholin-4-ylpyridin-3-amine is CC(Nc1ccc(N2CCOCC2)nc1)c1cc(Br)cs1.
What is the InChIKey of N-[1-(4-bromothiophen-2-yl)ethyl]-6-morpholin-4-ylpyridin-3-amine?
The InChIKey is OJNMBQPRWTYFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3OS/c1-11(14-8-12(16)10-21-14)18-13-2-3-15(17-9-13)19-4-6-20-7-5-19/h2-3,8-11,18H,4-7H2,1H3.
What are the key properties of N-[1-(4-bromothiophen-2-yl)ethyl]-6-morpholin-4-ylpyridin-3-amine?
N-[1-(4-bromothiophen-2-yl)ethyl]-6-morpholin-4-ylpyridin-3-amine has a molecular weight of 368.30 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromothiophen-2-yl)ethyl]-6-morpholin-4-ylpyridin-3-amine is sourced from PubChem (CID 107167817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).