(5-iodothiophen-3-yl)-(4-methyl-3-pyridinyl)methanamine

C11H11IN2S — CID 105006630

IUPAC(5-iodothiophen-3-yl)-(4-methyl-3-pyridinyl)methanamine
SMILESCc1ccncc1C(N)c1csc(I)c1
InChIInChI=1S/C11H11IN2S/c1-7-2-3-14-5-9(7)11(13)8-4-10(12)15-6-8/h2-6,11H,13H2,1H3
InChIKeyUMZQYRBYKLKENQ-UHFFFAOYSA-N
MW330.19 g/mol
LogP3.10
Rot. Bonds2

About (5-iodothiophen-3-yl)-(4-methyl-3-pyridinyl)methanamine

(5-iodothiophen-3-yl)-(4-methyl-3-pyridinyl)methanamine (PubChem CID 105006630) has the molecular formula C11H11IN2S and a molecular weight of 330.19 g/mol. Its IUPAC name is (5-iodothiophen-3-yl)-(4-methyl-3-pyridinyl)methanamine.

Molecular Properties

Compound Name(5-iodothiophen-3-yl)-(4-methyl-3-pyridinyl)methanamine
PubChem CID105006630
Molecular FormulaC11H11IN2S
Molecular Weight330.19 g/mol
Exact Mass329.97
IUPAC Name(5-iodothiophen-3-yl)-(4-methyl-3-pyridinyl)methanamine
SMILESCc1ccncc1C(N)c1csc(I)c1
InChIInChI=1S/C11H11IN2S/c1-7-2-3-14-5-9(7)11(13)8-4-10(12)15-6-8/h2-6,11H,13H2,1H3
InChIKeyUMZQYRBYKLKENQ-UHFFFAOYSA-N
XLogP3.10
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.19
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze (5-iodothiophen-3-yl)-(4-methyl-3-pyridinyl)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-iodothiophen-3-yl)-pyrazin-2-ylmethanamine
CID 115860644
(4-bromothiophen-2-yl)-(4-methyl-3-pyridinyl)methanamine
CID 66273782
(4-methyl-3-pyridinyl)-(3,4,5-trifluorophenyl)methanamine
CID 66272704
(4-methyl-3-pyridinyl)-thieno[3,2-b]pyridin-6-ylmethanamine
CID 81144332
(4-methyl-3-pyridinyl)-thiophen-2-ylmethanamine
CID 66274388
(4-methyl-3-pyridinyl)-pyrimidin-2-ylmethanamine
CID 66273123
1-(4-methyl-3-pyridinyl)ethanamine
CID 64988869
(4-methyl-3-pyridinyl)-(1,3-oxazol-2-yl)methanamine
CID 82404635
(4-methyl-3-pyridinyl)-quinolin-3-ylmethanamine
CID 114877871
(4-methyl-3-pyridinyl)-(3-propan-2-yloxyphenyl)methanamine
CID 114877931
(4-methyl-3-pyridinyl)-(4-methylsulfonylphenyl)methanamine
CID 105006479
(4-methyl-2-pyridinyl)-(4-methyl-3-pyridinyl)methanamine
CID 66271642

Frequently Asked Questions

What is the IUPAC name of (5-iodothiophen-3-yl)-(4-methyl-3-pyridinyl)methanamine?
The IUPAC name of (5-iodothiophen-3-yl)-(4-methyl-3-pyridinyl)methanamine (CID 105006630) is (5-iodothiophen-3-yl)-(4-methyl-3-pyridinyl)methanamine.
What is the SMILES notation for (5-iodothiophen-3-yl)-(4-methyl-3-pyridinyl)methanamine?
The canonical SMILES for (5-iodothiophen-3-yl)-(4-methyl-3-pyridinyl)methanamine is Cc1ccncc1C(N)c1csc(I)c1.
What is the InChIKey of (5-iodothiophen-3-yl)-(4-methyl-3-pyridinyl)methanamine?
The InChIKey is UMZQYRBYKLKENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IN2S/c1-7-2-3-14-5-9(7)11(13)8-4-10(12)15-6-8/h2-6,11H,13H2,1H3.
What are the key properties of (5-iodothiophen-3-yl)-(4-methyl-3-pyridinyl)methanamine?
(5-iodothiophen-3-yl)-(4-methyl-3-pyridinyl)methanamine has a molecular weight of 330.19 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-iodothiophen-3-yl)-(4-methyl-3-pyridinyl)methanamine is sourced from PubChem (CID 105006630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).