6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone

C15H12N2OS2 — CID 102626505

IUPAC6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
SMILESO=C(c1cc2c(s1)CCSC2)c1c[nH]c2ccncc12
InChIInChI=1S/C15H12N2OS2/c18-15(11-7-17-12-1-3-16-6-10(11)12)14-5-9-8-19-4-2-13(9)20-14/h1,3,5-7,17H,2,4,8H2
InChIKeyQVTJRBXMRMRQGL-UHFFFAOYSA-N
MW300.41 g/mol
LogP3.64
Rot. Bonds2

About 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone

6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone (PubChem CID 102626505) has the molecular formula C15H12N2OS2 and a molecular weight of 300.41 g/mol. Its IUPAC name is 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone.

Molecular Properties

Compound Name6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
PubChem CID102626505
Molecular FormulaC15H12N2OS2
Molecular Weight300.41 g/mol
Exact Mass300.04
IUPAC Name6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
SMILESO=C(c1cc2c(s1)CCSC2)c1c[nH]c2ccncc12
InChIInChI=1S/C15H12N2OS2/c18-15(11-7-17-12-1-3-16-6-10(11)12)14-5-9-8-19-4-2-13(9)20-14/h1,3,5-7,17H,2,4,8H2
InChIKeyQVTJRBXMRMRQGL-UHFFFAOYSA-N
XLogP3.64
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 53.64
H-Bond Donors ≤ 51
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]thiopyran-2-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone?
The IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone (CID 102626505) is 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone.
What is the SMILES notation for 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone?
The canonical SMILES for 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone is O=C(c1cc2c(s1)CCSC2)c1c[nH]c2ccncc12.
What is the InChIKey of 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone?
The InChIKey is QVTJRBXMRMRQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS2/c18-15(11-7-17-12-1-3-16-6-10(11)12)14-5-9-8-19-4-2-13(9)20-14/h1,3,5-7,17H,2,4,8H2.
What are the key properties of 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone?
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone has a molecular weight of 300.41 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 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]thiopyran-2-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone is sourced from PubChem (CID 102626505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).