6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-pyridinyl]methanone

C18H17N3O2S2 — CID 29326752

About 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-pyridinyl]methanone

6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-pyridinyl]methanone (PubChem CID 29326752) has the molecular formula C18H17N3O2S2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-pyridinyl]methanone.

Molecular Properties

• Compound Name: 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-pyridinyl]methanone
• PubChem CID: 29326752
• Molecular Formula: C18H17N3O2S2
• Molecular Weight: 371.49 g/mol
• Exact Mass: 371.08
• IUPAC Name: 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-pyridinyl]methanone
• SMILES: Cc1cc(CSc2ncccc2C(=O)N2CCc3sccc3C2)no1
• InChI: InChI=1S/C18H17N3O2S2/c1-12-9-14(20-23-12)11-25-17-15(3-2-6-19-17)18(22)21-7-4-16-13(10-21)5-8-24-16/h2-3,5-6,8-9H,4,7,10-11H2,1H3
• InChIKey: QGRGFGIROIEGDW-UHFFFAOYSA-N
• XLogP: 3.93
• TPSA: 59.23 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.49
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-pyridinyl]methanone?

The IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-pyridinyl]methanone (CID 29326752) is 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-pyridinyl]methanone.

What is the SMILES notation for 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-pyridinyl]methanone?

The canonical SMILES for 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-pyridinyl]methanone is Cc1cc(CSc2ncccc2C(=O)N2CCc3sccc3C2)no1.

What is the InChIKey of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-pyridinyl]methanone?

The InChIKey is QGRGFGIROIEGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S2/c1-12-9-14(20-23-12)11-25-17-15(3-2-6-19-17)18(22)21-7-4-16-13(10-21)5-8-24-16/h2-3,5-6,8-9H,4,7,10-11H2,1H3.

What are the key properties of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-pyridinyl]methanone?

6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-pyridinyl]methanone has a molecular weight of 371.49 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-pyridinyl]methanone is sourced from PubChem (CID 29326752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).