S-[2-(dimethylamino)ethyl] 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbothioate

C12H18N2OS2 — CID 142686744

IUPACS-[2-(dimethylamino)ethyl] 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbothioate
SMILESCN(C)CCSC(=O)N1CCc2ccsc2C1
InChIInChI=1S/C12H18N2OS2/c1-13(2)6-8-17-12(15)14-5-3-10-4-7-16-11(10)9-14/h4,7H,3,5-6,8-9H2,1-2H3
InChIKeyZAZCEOJGYWTLJZ-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.52
Rot. Bonds3

About S-[2-(dimethylamino)ethyl] 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbothioate

S-[2-(dimethylamino)ethyl] 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbothioate (PubChem CID 142686744) has the molecular formula C12H18N2OS2 and a molecular weight of 270.42 g/mol. Its IUPAC name is S-[2-(dimethylamino)ethyl] 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbothioate.

Molecular Properties

Compound NameS-[2-(dimethylamino)ethyl] 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbothioate
PubChem CID142686744
Molecular FormulaC12H18N2OS2
Molecular Weight270.42 g/mol
Exact Mass270.09
IUPAC NameS-[2-(dimethylamino)ethyl] 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbothioate
SMILESCN(C)CCSC(=O)N1CCc2ccsc2C1
InChIInChI=1S/C12H18N2OS2/c1-13(2)6-8-17-12(15)14-5-3-10-4-7-16-11(10)9-14/h4,7H,3,5-6,8-9H2,1-2H3
InChIKeyZAZCEOJGYWTLJZ-UHFFFAOYSA-N
XLogP2.52
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of S-[2-(dimethylamino)ethyl] 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbothioate?
The IUPAC name of S-[2-(dimethylamino)ethyl] 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbothioate (CID 142686744) is S-[2-(dimethylamino)ethyl] 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbothioate.
What is the SMILES notation for S-[2-(dimethylamino)ethyl] 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbothioate?
The canonical SMILES for S-[2-(dimethylamino)ethyl] 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbothioate is CN(C)CCSC(=O)N1CCc2ccsc2C1.
What is the InChIKey of S-[2-(dimethylamino)ethyl] 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbothioate?
The InChIKey is ZAZCEOJGYWTLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS2/c1-13(2)6-8-17-12(15)14-5-3-10-4-7-16-11(10)9-14/h4,7H,3,5-6,8-9H2,1-2H3.
What are the key properties of S-[2-(dimethylamino)ethyl] 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbothioate?
S-[2-(dimethylamino)ethyl] 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbothioate has a molecular weight of 270.42 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for S-[2-(dimethylamino)ethyl] 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbothioate is sourced from PubChem (CID 142686744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).