6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(3-hydroxynaphthalen-2-yl)methanone

C18H15NO2S — CID 42469933

IUPAC6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(3-hydroxynaphthalen-2-yl)methanone
SMILESO=C(c1cc2ccccc2cc1O)N1CCc2sccc2C1
InChIInChI=1S/C18H15NO2S/c20-16-10-13-4-2-1-3-12(13)9-15(16)18(21)19-7-5-17-14(11-19)6-8-22-17/h1-4,6,8-10,20H,5,7,11H2
InChIKeyCZKBZCORSNMFBG-UHFFFAOYSA-N
MW309.39 g/mol
LogP3.81
Rot. Bonds1

About 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(3-hydroxynaphthalen-2-yl)methanone

6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(3-hydroxynaphthalen-2-yl)methanone (PubChem CID 42469933) has the molecular formula C18H15NO2S and a molecular weight of 309.39 g/mol. Its IUPAC name is 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(3-hydroxynaphthalen-2-yl)methanone.

Molecular Properties

Compound Name6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(3-hydroxynaphthalen-2-yl)methanone
PubChem CID42469933
Molecular FormulaC18H15NO2S
Molecular Weight309.39 g/mol
Exact Mass309.08
IUPAC Name6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(3-hydroxynaphthalen-2-yl)methanone
SMILESO=C(c1cc2ccccc2cc1O)N1CCc2sccc2C1
InChIInChI=1S/C18H15NO2S/c20-16-10-13-4-2-1-3-12(13)9-15(16)18(21)19-7-5-17-14(11-19)6-8-22-17/h1-4,6,8-10,20H,5,7,11H2
InChIKeyCZKBZCORSNMFBG-UHFFFAOYSA-N
XLogP3.81
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(3-hydroxynaphthalen-2-yl)methanone?
The IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(3-hydroxynaphthalen-2-yl)methanone (CID 42469933) is 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(3-hydroxynaphthalen-2-yl)methanone.
What is the SMILES notation for 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(3-hydroxynaphthalen-2-yl)methanone?
The canonical SMILES for 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(3-hydroxynaphthalen-2-yl)methanone is O=C(c1cc2ccccc2cc1O)N1CCc2sccc2C1.
What is the InChIKey of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(3-hydroxynaphthalen-2-yl)methanone?
The InChIKey is CZKBZCORSNMFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2S/c20-16-10-13-4-2-1-3-12(13)9-15(16)18(21)19-7-5-17-14(11-19)6-8-22-17/h1-4,6,8-10,20H,5,7,11H2.
What are the key properties of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(3-hydroxynaphthalen-2-yl)methanone?
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(3-hydroxynaphthalen-2-yl)methanone has a molecular weight of 309.39 g/mol, XLogP of 3.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(3-hydroxynaphthalen-2-yl)methanone is sourced from PubChem (CID 42469933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).