(4S)-4-(6-methyl-2-pyridinyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

C13H14N2S — CID 95986846

IUPAC(4S)-4-(6-methyl-2-pyridinyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESCc1cccc([C@H]2NCCc3sccc32)n1
InChIInChI=1S/C13H14N2S/c1-9-3-2-4-11(15-9)13-10-6-8-16-12(10)5-7-14-13/h2-4,6,8,13-14H,5,7H2,1H3/t13-/m0/s1
InChIKeyMYMCYOHOGNNYBB-ZDUSSCGKSA-N
MW230.34 g/mol
LogP2.69
Rot. Bonds1

About (4S)-4-(6-methyl-2-pyridinyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

(4S)-4-(6-methyl-2-pyridinyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (PubChem CID 95986846) has the molecular formula C13H14N2S and a molecular weight of 230.34 g/mol. Its IUPAC name is (4S)-4-(6-methyl-2-pyridinyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine.

Molecular Properties

Compound Name(4S)-4-(6-methyl-2-pyridinyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
PubChem CID95986846
Molecular FormulaC13H14N2S
Molecular Weight230.34 g/mol
Exact Mass230.09
IUPAC Name(4S)-4-(6-methyl-2-pyridinyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESCc1cccc([C@H]2NCCc3sccc32)n1
InChIInChI=1S/C13H14N2S/c1-9-3-2-4-11(15-9)13-10-6-8-16-12(10)5-7-14-13/h2-4,6,8,13-14H,5,7H2,1H3/t13-/m0/s1
InChIKeyMYMCYOHOGNNYBB-ZDUSSCGKSA-N
XLogP2.69
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S)-4-(6-methyl-2-pyridinyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(6-methyl-2-pyridinyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The IUPAC name of (4S)-4-(6-methyl-2-pyridinyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (CID 95986846) is (4S)-4-(6-methyl-2-pyridinyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine.
What is the SMILES notation for (4S)-4-(6-methyl-2-pyridinyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The canonical SMILES for (4S)-4-(6-methyl-2-pyridinyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine is Cc1cccc([C@H]2NCCc3sccc32)n1.
What is the InChIKey of (4S)-4-(6-methyl-2-pyridinyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The InChIKey is MYMCYOHOGNNYBB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H14N2S/c1-9-3-2-4-11(15-9)13-10-6-8-16-12(10)5-7-14-13/h2-4,6,8,13-14H,5,7H2,1H3/t13-/m0/s1.
What are the key properties of (4S)-4-(6-methyl-2-pyridinyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
(4S)-4-(6-methyl-2-pyridinyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine has a molecular weight of 230.34 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(6-methyl-2-pyridinyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine is sourced from PubChem (CID 95986846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).