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

C15H16N2OS2 — CID 47124111

IUPAC(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(2-methylsulfanyl-3-pyridinyl)methanone
SMILESCSc1ncccc1C(=O)N1CCc2sccc2C1C
InChIInChI=1S/C15H16N2OS2/c1-10-11-6-9-20-13(11)5-8-17(10)15(18)12-4-3-7-16-14(12)19-2/h3-4,6-7,9-10H,5,8H2,1-2H3
InChIKeyAZDYZYNOIALYKF-UHFFFAOYSA-N
MW304.44 g/mol
LogP3.62
Rot. Bonds2

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

(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(2-methylsulfanyl-3-pyridinyl)methanone (PubChem CID 47124111) has the molecular formula C15H16N2OS2 and a molecular weight of 304.44 g/mol. Its IUPAC name is (4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(2-methylsulfanyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(2-methylsulfanyl-3-pyridinyl)methanone
PubChem CID47124111
Molecular FormulaC15H16N2OS2
Molecular Weight304.44 g/mol
Exact Mass304.07
IUPAC Name(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(2-methylsulfanyl-3-pyridinyl)methanone
SMILESCSc1ncccc1C(=O)N1CCc2sccc2C1C
InChIInChI=1S/C15H16N2OS2/c1-10-11-6-9-20-13(11)5-8-17(10)15(18)12-4-3-7-16-14(12)19-2/h3-4,6-7,9-10H,5,8H2,1-2H3
InChIKeyAZDYZYNOIALYKF-UHFFFAOYSA-N
XLogP3.62
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

(3-amino-2-pyridinyl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 104741824
(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-pyridin-3-ylmethanone
CID 47120180
[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-thiophen-2-ylmethanone
CID 6929698
(4-fluorophenyl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 18156073
(2-hydroxy-5-methylphenyl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 60701291
(2,4-dibromophenyl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 107952195
[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(4-methylphenyl)methanone
CID 8948806
[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[4-(methylsulfanylmethyl)phenyl]methanone
CID 8949501
(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(2-methyl-5-sulfanylphenyl)methanone
CID 107026700
[2-(methylamino)-4-pyridinyl]-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 92584927
(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(4-sulfanylphenyl)methanone
CID 107026703
5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)thiophene-2-carboxylic acid
CID 60722425

Frequently Asked Questions

What is the IUPAC name of (4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(2-methylsulfanyl-3-pyridinyl)methanone?
The IUPAC name of (4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(2-methylsulfanyl-3-pyridinyl)methanone (CID 47124111) is (4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(2-methylsulfanyl-3-pyridinyl)methanone.
What is the SMILES notation for (4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(2-methylsulfanyl-3-pyridinyl)methanone?
The canonical SMILES for (4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(2-methylsulfanyl-3-pyridinyl)methanone is CSc1ncccc1C(=O)N1CCc2sccc2C1C.
What is the InChIKey of (4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(2-methylsulfanyl-3-pyridinyl)methanone?
The InChIKey is AZDYZYNOIALYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS2/c1-10-11-6-9-20-13(11)5-8-17(10)15(18)12-4-3-7-16-14(12)19-2/h3-4,6-7,9-10H,5,8H2,1-2H3.
What are the key properties of (4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(2-methylsulfanyl-3-pyridinyl)methanone?
(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(2-methylsulfanyl-3-pyridinyl)methanone has a molecular weight of 304.44 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 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)-(2-methylsulfanyl-3-pyridinyl)methanone is sourced from PubChem (CID 47124111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).