(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-thiophen-2-ylmethanone

C13H13NOS2 — CID 2806362

IUPAC(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-thiophen-2-ylmethanone
SMILESCC1c2ccsc2CCN1C(=O)c1cccs1
InChIInChI=1S/C13H13NOS2/c1-9-10-5-8-17-11(10)4-6-14(9)13(15)12-3-2-7-16-12/h2-3,5,7-9H,4,6H2,1H3
InChIKeyYIAQGAPIWBZBNQ-UHFFFAOYSA-N
MW263.39 g/mol
LogP3.57
Rot. Bonds1

About (4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-thiophen-2-ylmethanone

(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-thiophen-2-ylmethanone (PubChem CID 2806362) has the molecular formula C13H13NOS2 and a molecular weight of 263.39 g/mol. Its IUPAC name is (4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-thiophen-2-ylmethanone
PubChem CID2806362
Molecular FormulaC13H13NOS2
Molecular Weight263.39 g/mol
Exact Mass263.04
IUPAC Name(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-thiophen-2-ylmethanone
SMILESCC1c2ccsc2CCN1C(=O)c1cccs1
InChIInChI=1S/C13H13NOS2/c1-9-10-5-8-17-11(10)4-6-14(9)13(15)12-3-2-7-16-12/h2-3,5,7-9H,4,6H2,1H3
InChIKeyYIAQGAPIWBZBNQ-UHFFFAOYSA-N
XLogP3.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-thiophen-2-ylmethanone?
The IUPAC name of (4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-thiophen-2-ylmethanone (CID 2806362) is (4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-thiophen-2-ylmethanone is CC1c2ccsc2CCN1C(=O)c1cccs1.
What is the InChIKey of (4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-thiophen-2-ylmethanone?
The InChIKey is YIAQGAPIWBZBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NOS2/c1-9-10-5-8-17-11(10)4-6-14(9)13(15)12-3-2-7-16-12/h2-3,5,7-9H,4,6H2,1H3.
What are the key properties of (4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-thiophen-2-ylmethanone?
(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-thiophen-2-ylmethanone has a molecular weight of 263.39 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 2806362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).