N-[(5-bromo-3-pyridinyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine

C14H17BrN2S — CID 102833386

IUPACN-[(5-bromo-3-pyridinyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cncc(Br)c1)c1ccsc1C
InChIInChI=1S/C14H17BrN2S/c1-3-5-17-14(13-4-6-18-10(13)2)11-7-12(15)9-16-8-11/h4,6-9,14,17H,3,5H2,1-2H3
InChIKeyJYVKDFAHTIGEBS-UHFFFAOYSA-N
MW325.28 g/mol
LogP4.30
Rot. Bonds5

About N-[(5-bromo-3-pyridinyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine

N-[(5-bromo-3-pyridinyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine (PubChem CID 102833386) has the molecular formula C14H17BrN2S and a molecular weight of 325.28 g/mol. Its IUPAC name is N-[(5-bromo-3-pyridinyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-bromo-3-pyridinyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
PubChem CID102833386
Molecular FormulaC14H17BrN2S
Molecular Weight325.28 g/mol
Exact Mass324.03
IUPAC NameN-[(5-bromo-3-pyridinyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cncc(Br)c1)c1ccsc1C
InChIInChI=1S/C14H17BrN2S/c1-3-5-17-14(13-4-6-18-10(13)2)11-7-12(15)9-16-8-11/h4,6-9,14,17H,3,5H2,1-2H3
InChIKeyJYVKDFAHTIGEBS-UHFFFAOYSA-N
XLogP4.30
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.28
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(5-bromo-3-pyridinyl)-(2-methylthiophen-3-yl)methyl]propan-1-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-[(4-bromo-3,5-dimethylphenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102834065
N-[(5-bromo-3-pyridinyl)-(2,6-difluoro-3-methylphenyl)methyl]propan-1-amine
CID 82802947
N-[(2-methylthiophen-3-yl)-pyrimidin-5-ylmethyl]ethanamine
CID 102923988
N-[(2-methylthiophen-3-yl)-(thiadiazol-5-yl)methyl]propan-1-amine
CID 102840891
N-[(2-methylthiophen-3-yl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine
CID 102832783
N-[(2-chloro-4-methylphenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 106858921
N-[(3-methoxyphenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102831680
N-[(2-bromophenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115374411
N-[(3-bromo-5-methylphenyl)-(3-bromothiophen-2-yl)methyl]propan-1-amine
CID 104851374
N-[(5-bromo-3-pyridinyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 43497258
N-[(2-methoxyphenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102831663
N-[(2-methylthiophen-3-yl)-pyridin-3-ylmethyl]ethanamine
CID 102831849

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-3-pyridinyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(5-bromo-3-pyridinyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine (CID 102833386) is N-[(5-bromo-3-pyridinyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-bromo-3-pyridinyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-bromo-3-pyridinyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine is CCCNC(c1cncc(Br)c1)c1ccsc1C.
What is the InChIKey of N-[(5-bromo-3-pyridinyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine?
The InChIKey is JYVKDFAHTIGEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2S/c1-3-5-17-14(13-4-6-18-10(13)2)11-7-12(15)9-16-8-11/h4,6-9,14,17H,3,5H2,1-2H3.
What are the key properties of N-[(5-bromo-3-pyridinyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine?
N-[(5-bromo-3-pyridinyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine has a molecular weight of 325.28 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-3-pyridinyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 102833386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).