3,3-dimethyl-2H-thieno[3,2-c]pyridine

C9H11NS — CID 21300242

IUPAC3,3-dimethyl-2H-thieno[3,2-c]pyridine
SMILESCC1(C)CSc2ccncc21
InChIInChI=1S/C9H11NS/c1-9(2)6-11-8-3-4-10-5-7(8)9/h3-5H,6H2,1-2H3
InChIKeyXCPSPTCFLNYACY-UHFFFAOYSA-N
MW165.26 g/mol
LogP2.46
Rot. Bonds

About 3,3-dimethyl-2H-thieno[3,2-c]pyridine

3,3-dimethyl-2H-thieno[3,2-c]pyridine (PubChem CID 21300242) has the molecular formula C9H11NS and a molecular weight of 165.26 g/mol. Its IUPAC name is 3,3-dimethyl-2H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name3,3-dimethyl-2H-thieno[3,2-c]pyridine
PubChem CID21300242
Molecular FormulaC9H11NS
Molecular Weight165.26 g/mol
Exact Mass165.06
IUPAC Name3,3-dimethyl-2H-thieno[3,2-c]pyridine
SMILESCC1(C)CSc2ccncc21
InChIInChI=1S/C9H11NS/c1-9(2)6-11-8-3-4-10-5-7(8)9/h3-5H,6H2,1-2H3
InChIKeyXCPSPTCFLNYACY-UHFFFAOYSA-N
XLogP2.46
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,3-dimethyl-2H-thieno[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

Related Compounds

3,3-dimethyl-2H-thieno[3,2-c]pyridine 1-oxide
CID 21300225
3-bromo-3-methyl-2H-1-benzothiophene
CID 142211498
3-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)-1-pyridin-3-ylprop-2-yn-1-ol
CID 66616032
2,9-dithia-5,13-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
CID 11506792
3-(4-amino-3-pyridinyl)-4,4-dimethylthian-3-ol
CID 79956066
3,3-dimethyl-2H-thieno[2,3-c]pyridine 1,1-dioxide
CID 21300229
1-[4-(2-methylphenyl)-3-pyridinyl]cyclopropan-1-amine
CID 129257632
5,5-dimethyl-3,4-dihydro-2H-1-benzothiepine
CID 19935502
7-methyl-5,6-dihydrocyclopenta[c]pyridine-5,7-diol
CID 85099612
5,5-dimethyl-6,7-dihydroisoquinolin-8-one
CID 12648560
4,4-dimethyl-2-[(E)-2-pyridin-3-ylethenyl]-5H-1,3-thiazole
CID 6445976
3-isoquinolin-5-yl-5,5-dimethylthian-3-ol
CID 79946733

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2H-thieno[3,2-c]pyridine?
The IUPAC name of 3,3-dimethyl-2H-thieno[3,2-c]pyridine (CID 21300242) is 3,3-dimethyl-2H-thieno[3,2-c]pyridine.
What is the SMILES notation for 3,3-dimethyl-2H-thieno[3,2-c]pyridine?
The canonical SMILES for 3,3-dimethyl-2H-thieno[3,2-c]pyridine is CC1(C)CSc2ccncc21.
What is the InChIKey of 3,3-dimethyl-2H-thieno[3,2-c]pyridine?
The InChIKey is XCPSPTCFLNYACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NS/c1-9(2)6-11-8-3-4-10-5-7(8)9/h3-5H,6H2,1-2H3.
What are the key properties of 3,3-dimethyl-2H-thieno[3,2-c]pyridine?
3,3-dimethyl-2H-thieno[3,2-c]pyridine has a molecular weight of 165.26 g/mol, XLogP of 2.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2H-thieno[3,2-c]pyridine is sourced from PubChem (CID 21300242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).