2,4-dihydrothieno[3,2-c]pyridine

C7H7NS — CID 69057626

IUPAC2,4-dihydrothieno[3,2-c]pyridine
SMILESC1=NCC2=CCSC2=C1
InChIInChI=1S/C7H7NS/c1-3-8-5-6-2-4-9-7(1)6/h1-3H,4-5H2
InChIKeyOTGQDISDWYDHGN-UHFFFAOYSA-N
MW137.21 g/mol
LogP1.63
Rot. Bonds

About 2,4-dihydrothieno[3,2-c]pyridine

2,4-dihydrothieno[3,2-c]pyridine (PubChem CID 69057626) has the molecular formula C7H7NS and a molecular weight of 137.21 g/mol. Its IUPAC name is 2,4-dihydrothieno[3,2-c]pyridine.

Molecular Properties

Compound Name2,4-dihydrothieno[3,2-c]pyridine
PubChem CID69057626
Molecular FormulaC7H7NS
Molecular Weight137.21 g/mol
Exact Mass137.03
IUPAC Name2,4-dihydrothieno[3,2-c]pyridine
SMILESC1=NCC2=CCSC2=C1
InChIInChI=1S/C7H7NS/c1-3-8-5-6-2-4-9-7(1)6/h1-3H,4-5H2
InChIKeyOTGQDISDWYDHGN-UHFFFAOYSA-N
XLogP1.63
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.21
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dihydrothieno[3,2-c]pyridine?
The IUPAC name of 2,4-dihydrothieno[3,2-c]pyridine (CID 69057626) is 2,4-dihydrothieno[3,2-c]pyridine.
What is the SMILES notation for 2,4-dihydrothieno[3,2-c]pyridine?
The canonical SMILES for 2,4-dihydrothieno[3,2-c]pyridine is C1=NCC2=CCSC2=C1.
What is the InChIKey of 2,4-dihydrothieno[3,2-c]pyridine?
The InChIKey is OTGQDISDWYDHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NS/c1-3-8-5-6-2-4-9-7(1)6/h1-3H,4-5H2.
What are the key properties of 2,4-dihydrothieno[3,2-c]pyridine?
2,4-dihydrothieno[3,2-c]pyridine has a molecular weight of 137.21 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydrothieno[3,2-c]pyridine is sourced from PubChem (CID 69057626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).