2-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-5-ethoxy-1H-imidazo[4,5-b]pyridine

C15H15N3OS2 — CID 81266762

IUPAC2-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-5-ethoxy-1H-imidazo[4,5-b]pyridine
SMILESCCOc1ccc2[nH]c(-c3cc4c(s3)CCSC4)nc2n1
InChIInChI=1S/C15H15N3OS2/c1-2-19-13-4-3-10-14(17-13)18-15(16-10)12-7-9-8-20-6-5-11(9)21-12/h3-4,7H,2,5-6,8H2,1H3,(H,16,17,18)
InChIKeyVKPMFRIWPREMKS-UHFFFAOYSA-N
MW317.44 g/mol
LogP3.87
Rot. Bonds3

About 2-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-5-ethoxy-1H-imidazo[4,5-b]pyridine

2-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-5-ethoxy-1H-imidazo[4,5-b]pyridine (PubChem CID 81266762) has the molecular formula C15H15N3OS2 and a molecular weight of 317.44 g/mol. Its IUPAC name is 2-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-5-ethoxy-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-5-ethoxy-1H-imidazo[4,5-b]pyridine
PubChem CID81266762
Molecular FormulaC15H15N3OS2
Molecular Weight317.44 g/mol
Exact Mass317.07
IUPAC Name2-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-5-ethoxy-1H-imidazo[4,5-b]pyridine
SMILESCCOc1ccc2[nH]c(-c3cc4c(s3)CCSC4)nc2n1
InChIInChI=1S/C15H15N3OS2/c1-2-19-13-4-3-10-14(17-13)18-15(16-10)12-7-9-8-20-6-5-11(9)21-12/h3-4,7H,2,5-6,8H2,1H3,(H,16,17,18)
InChIKeyVKPMFRIWPREMKS-UHFFFAOYSA-N
XLogP3.87
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-5-ethoxy-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-5-ethoxy-1H-imidazo[4,5-b]pyridine (CID 81266762) is 2-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-5-ethoxy-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-5-ethoxy-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-5-ethoxy-1H-imidazo[4,5-b]pyridine is CCOc1ccc2[nH]c(-c3cc4c(s3)CCSC4)nc2n1.
What is the InChIKey of 2-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-5-ethoxy-1H-imidazo[4,5-b]pyridine?
The InChIKey is VKPMFRIWPREMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS2/c1-2-19-13-4-3-10-14(17-13)18-15(16-10)12-7-9-8-20-6-5-11(9)21-12/h3-4,7H,2,5-6,8H2,1H3,(H,16,17,18).
What are the key properties of 2-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-5-ethoxy-1H-imidazo[4,5-b]pyridine?
2-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-5-ethoxy-1H-imidazo[4,5-b]pyridine has a molecular weight of 317.44 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-5-ethoxy-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 81266762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).