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

C17H19NO3S — CID 134149366

IUPAC6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone
SMILESCC(C)c1cc(C(=O)N2CCc3sccc3C2)c(O)cc1O
InChIInChI=1S/C17H19NO3S/c1-10(2)12-7-13(15(20)8-14(12)19)17(21)18-5-3-16-11(9-18)4-6-22-16/h4,6-8,10,19-20H,3,5,9H2,1-2H3
InChIKeyOKBYFHBSPLJMKE-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.48
Rot. Bonds2

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

6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone (PubChem CID 134149366) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone
PubChem CID134149366
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Name6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone
SMILESCC(C)c1cc(C(=O)N2CCc3sccc3C2)c(O)cc1O
InChIInChI=1S/C17H19NO3S/c1-10(2)12-7-13(15(20)8-14(12)19)17(21)18-5-3-16-11(9-18)4-6-22-16/h4,6-8,10,19-20H,3,5,9H2,1-2H3
InChIKeyOKBYFHBSPLJMKE-UHFFFAOYSA-N
XLogP3.48
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone?
The IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone (CID 134149366) is 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone.
What is the SMILES notation for 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone?
The canonical SMILES for 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone is CC(C)c1cc(C(=O)N2CCc3sccc3C2)c(O)cc1O.
What is the InChIKey of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone?
The InChIKey is OKBYFHBSPLJMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-10(2)12-7-13(15(20)8-14(12)19)17(21)18-5-3-16-11(9-18)4-6-22-16/h4,6-8,10,19-20H,3,5,9H2,1-2H3.
What are the key properties of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone?
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone has a molecular weight of 317.41 g/mol, XLogP of 3.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone is sourced from PubChem (CID 134149366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).