(5-methoxy-3-pyridinyl)-(5-methylthiophen-2-yl)methanamine

C12H14N2OS — CID 105026193

IUPAC(5-methoxy-3-pyridinyl)-(5-methylthiophen-2-yl)methanamine
SMILESCOc1cncc(C(N)c2ccc(C)s2)c1
InChIInChI=1S/C12H14N2OS/c1-8-3-4-11(16-8)12(13)9-5-10(15-2)7-14-6-9/h3-7,12H,13H2,1-2H3
InChIKeyILIUDMKGMYBLBW-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.51
Rot. Bonds3

About (5-methoxy-3-pyridinyl)-(5-methylthiophen-2-yl)methanamine

(5-methoxy-3-pyridinyl)-(5-methylthiophen-2-yl)methanamine (PubChem CID 105026193) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is (5-methoxy-3-pyridinyl)-(5-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name(5-methoxy-3-pyridinyl)-(5-methylthiophen-2-yl)methanamine
PubChem CID105026193
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name(5-methoxy-3-pyridinyl)-(5-methylthiophen-2-yl)methanamine
SMILESCOc1cncc(C(N)c2ccc(C)s2)c1
InChIInChI=1S/C12H14N2OS/c1-8-3-4-11(16-8)12(13)9-5-10(15-2)7-14-6-9/h3-7,12H,13H2,1-2H3
InChIKeyILIUDMKGMYBLBW-UHFFFAOYSA-N
XLogP2.51
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5-methoxy-3-pyridinyl)-(5-methylthiophen-2-yl)methanamine 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

(5-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027557
N-[(5-methoxy-3-pyridinyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 105025951
(3,4-dimethylphenyl)-(5-methoxy-3-pyridinyl)methanamine
CID 105025843
(5-methylthiophen-2-yl)-pyridin-3-ylmethanamine
CID 43198853
(4-methoxy-3,5-dimethylphenyl)-(5-methylthiophen-2-yl)methanamine
CID 83056768
(2,5-dimethylphenyl)-(5-methoxy-3-pyridinyl)methanamine
CID 105025888
(4-bromo-3,5-dimethylphenyl)-(5-methoxy-3-pyridinyl)methanamine
CID 114330272
(5-methoxy-3-pyridinyl)-(2,4,6-trifluorophenyl)methanamine
CID 105026146
(5-ethoxy-3-pyridinyl)-(5-ethylthiophen-2-yl)methanamine
CID 105026593
3-(dimethoxymethyl)-5-methoxypyridine
CID 45361740
(4-fluoro-3-methoxyphenyl)-(5-methylthiophen-2-yl)methanamine
CID 81283235
(3-fluoro-4-methoxyphenyl)-(5-methoxy-3-pyridinyl)methanamine
CID 105026161

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-3-pyridinyl)-(5-methylthiophen-2-yl)methanamine?
The IUPAC name of (5-methoxy-3-pyridinyl)-(5-methylthiophen-2-yl)methanamine (CID 105026193) is (5-methoxy-3-pyridinyl)-(5-methylthiophen-2-yl)methanamine.
What is the SMILES notation for (5-methoxy-3-pyridinyl)-(5-methylthiophen-2-yl)methanamine?
The canonical SMILES for (5-methoxy-3-pyridinyl)-(5-methylthiophen-2-yl)methanamine is COc1cncc(C(N)c2ccc(C)s2)c1.
What is the InChIKey of (5-methoxy-3-pyridinyl)-(5-methylthiophen-2-yl)methanamine?
The InChIKey is ILIUDMKGMYBLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-8-3-4-11(16-8)12(13)9-5-10(15-2)7-14-6-9/h3-7,12H,13H2,1-2H3.
What are the key properties of (5-methoxy-3-pyridinyl)-(5-methylthiophen-2-yl)methanamine?
(5-methoxy-3-pyridinyl)-(5-methylthiophen-2-yl)methanamine has a molecular weight of 234.32 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-3-pyridinyl)-(5-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 105026193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).