5-[(3,5,6-trimethylpyrazin-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine

C15H19N3S — CID 72945001

IUPAC5-[(3,5,6-trimethylpyrazin-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCc1nc(C)c(CN2CCc3sccc3C2)nc1C
InChIInChI=1S/C15H19N3S/c1-10-11(2)17-14(12(3)16-10)9-18-6-4-15-13(8-18)5-7-19-15/h5,7H,4,6,8-9H2,1-3H3
InChIKeyJTYYLAPSXQLTMS-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.02
Rot. Bonds2

About 5-[(3,5,6-trimethylpyrazin-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine

5-[(3,5,6-trimethylpyrazin-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 72945001) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 5-[(3,5,6-trimethylpyrazin-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-[(3,5,6-trimethylpyrazin-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID72945001
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name5-[(3,5,6-trimethylpyrazin-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCc1nc(C)c(CN2CCc3sccc3C2)nc1C
InChIInChI=1S/C15H19N3S/c1-10-11(2)17-14(12(3)16-10)9-18-6-4-15-13(8-18)5-7-19-15/h5,7H,4,6,8-9H2,1-3H3
InChIKeyJTYYLAPSXQLTMS-UHFFFAOYSA-N
XLogP3.02
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[(3,5,6-trimethylpyrazin-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine with MolForge

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Related Compounds

[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-2-pyridinyl]methanamine
CID 63887644
5-(2,2-dimethylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 176622093
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-N-ethyl-6-methylpyrimidin-4-amine
CID 80657132
5-[(3,5-dimethoxyphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 3041283
N-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62439479
5-[(2-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 3042998
5-[(3,4-dichlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
CID 3041286
5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydron;chloride
CID 657310
7-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 18137944
5-[(2-chloroquinolin-3-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 16599442
2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)phenyl]-N-methylethanamine
CID 115463479
2,6-dichloro-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)aniline
CID 82832751

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5,6-trimethylpyrazin-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-[(3,5,6-trimethylpyrazin-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 72945001) is 5-[(3,5,6-trimethylpyrazin-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-[(3,5,6-trimethylpyrazin-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-[(3,5,6-trimethylpyrazin-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is Cc1nc(C)c(CN2CCc3sccc3C2)nc1C.
What is the InChIKey of 5-[(3,5,6-trimethylpyrazin-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is JTYYLAPSXQLTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-10-11(2)17-14(12(3)16-10)9-18-6-4-15-13(8-18)5-7-19-15/h5,7H,4,6,8-9H2,1-3H3.
What are the key properties of 5-[(3,5,6-trimethylpyrazin-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
5-[(3,5,6-trimethylpyrazin-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 273.40 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5,6-trimethylpyrazin-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 72945001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).