N-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-pyridinyl]-2-methylsulfanylacetamide

C15H17N3OS2 — CID 30896219

IUPACN-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-pyridinyl]-2-methylsulfanylacetamide
SMILESCSCC(=O)Nc1ccc(N2CCc3sccc3C2)nc1
InChIInChI=1S/C15H17N3OS2/c1-20-10-15(19)17-12-2-3-14(16-8-12)18-6-4-13-11(9-18)5-7-21-13/h2-3,5,7-8H,4,6,9-10H2,1H3,(H,17,19)
InChIKeyZVMFQJRTCOVRPD-UHFFFAOYSA-N
MW319.46 g/mol
LogP3.01
Rot. Bonds4

About N-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-pyridinyl]-2-methylsulfanylacetamide

N-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-pyridinyl]-2-methylsulfanylacetamide (PubChem CID 30896219) has the molecular formula C15H17N3OS2 and a molecular weight of 319.46 g/mol. Its IUPAC name is N-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-pyridinyl]-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-pyridinyl]-2-methylsulfanylacetamide
PubChem CID30896219
Molecular FormulaC15H17N3OS2
Molecular Weight319.46 g/mol
Exact Mass319.08
IUPAC NameN-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-pyridinyl]-2-methylsulfanylacetamide
SMILESCSCC(=O)Nc1ccc(N2CCc3sccc3C2)nc1
InChIInChI=1S/C15H17N3OS2/c1-20-10-15(19)17-12-2-3-14(16-8-12)18-6-4-13-11(9-18)5-7-21-13/h2-3,5,7-8H,4,6,9-10H2,1H3,(H,17,19)
InChIKeyZVMFQJRTCOVRPD-UHFFFAOYSA-N
XLogP3.01
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.46
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-pyridinyl]-2-methylsulfanylacetamide?
The IUPAC name of N-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-pyridinyl]-2-methylsulfanylacetamide (CID 30896219) is N-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-pyridinyl]-2-methylsulfanylacetamide.
What is the SMILES notation for N-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-pyridinyl]-2-methylsulfanylacetamide?
The canonical SMILES for N-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-pyridinyl]-2-methylsulfanylacetamide is CSCC(=O)Nc1ccc(N2CCc3sccc3C2)nc1.
What is the InChIKey of N-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-pyridinyl]-2-methylsulfanylacetamide?
The InChIKey is ZVMFQJRTCOVRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS2/c1-20-10-15(19)17-12-2-3-14(16-8-12)18-6-4-13-11(9-18)5-7-21-13/h2-3,5,7-8H,4,6,9-10H2,1H3,(H,17,19).
What are the key properties of N-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-pyridinyl]-2-methylsulfanylacetamide?
N-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-pyridinyl]-2-methylsulfanylacetamide has a molecular weight of 319.46 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-pyridinyl]-2-methylsulfanylacetamide is sourced from PubChem (CID 30896219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).