6-ethyl-7-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine

C12H19NS — CID 14548172

IUPAC6-ethyl-7-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine
SMILESCCN1CCc2ccsc2C1C(C)C
InChIInChI=1S/C12H19NS/c1-4-13-7-5-10-6-8-14-12(10)11(13)9(2)3/h6,8-9,11H,4-5,7H2,1-3H3
InChIKeyHDKWPALIOLJGEH-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.32
Rot. Bonds2

About 6-ethyl-7-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine

6-ethyl-7-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine (PubChem CID 14548172) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is 6-ethyl-7-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine.

Molecular Properties

Compound Name6-ethyl-7-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine
PubChem CID14548172
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name6-ethyl-7-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine
SMILESCCN1CCc2ccsc2C1C(C)C
InChIInChI=1S/C12H19NS/c1-4-13-7-5-10-6-8-14-12(10)11(13)9(2)3/h6,8-9,11H,4-5,7H2,1-3H3
InChIKeyHDKWPALIOLJGEH-UHFFFAOYSA-N
XLogP3.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-7-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine?
The IUPAC name of 6-ethyl-7-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine (CID 14548172) is 6-ethyl-7-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine.
What is the SMILES notation for 6-ethyl-7-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine?
The canonical SMILES for 6-ethyl-7-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine is CCN1CCc2ccsc2C1C(C)C.
What is the InChIKey of 6-ethyl-7-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine?
The InChIKey is HDKWPALIOLJGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-4-13-7-5-10-6-8-14-12(10)11(13)9(2)3/h6,8-9,11H,4-5,7H2,1-3H3.
What are the key properties of 6-ethyl-7-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine?
6-ethyl-7-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine has a molecular weight of 209.36 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-7-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine is sourced from PubChem (CID 14548172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).