2,3,4-trimethyl-6,7-dihydrothieno[3,2-c]pyridine

C10H13NS — CID 59663091

IUPAC2,3,4-trimethyl-6,7-dihydrothieno[3,2-c]pyridine
SMILESCC1=NCCc2sc(C)c(C)c21
InChIInChI=1S/C10H13NS/c1-6-8(3)12-9-4-5-11-7(2)10(6)9/h4-5H2,1-3H3
InChIKeyBRHJUXCTUVZTAE-UHFFFAOYSA-N
MW179.29 g/mol
LogP2.73
Rot. Bonds

About 2,3,4-trimethyl-6,7-dihydrothieno[3,2-c]pyridine

2,3,4-trimethyl-6,7-dihydrothieno[3,2-c]pyridine (PubChem CID 59663091) has the molecular formula C10H13NS and a molecular weight of 179.29 g/mol. Its IUPAC name is 2,3,4-trimethyl-6,7-dihydrothieno[3,2-c]pyridine.

Molecular Properties

Compound Name2,3,4-trimethyl-6,7-dihydrothieno[3,2-c]pyridine
PubChem CID59663091
Molecular FormulaC10H13NS
Molecular Weight179.29 g/mol
Exact Mass179.08
IUPAC Name2,3,4-trimethyl-6,7-dihydrothieno[3,2-c]pyridine
SMILESCC1=NCCc2sc(C)c(C)c21
InChIInChI=1S/C10H13NS/c1-6-8(3)12-9-4-5-11-7(2)10(6)9/h4-5H2,1-3H3
InChIKeyBRHJUXCTUVZTAE-UHFFFAOYSA-N
XLogP2.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethyl-6,7-dihydrothieno[3,2-c]pyridine?
The IUPAC name of 2,3,4-trimethyl-6,7-dihydrothieno[3,2-c]pyridine (CID 59663091) is 2,3,4-trimethyl-6,7-dihydrothieno[3,2-c]pyridine.
What is the SMILES notation for 2,3,4-trimethyl-6,7-dihydrothieno[3,2-c]pyridine?
The canonical SMILES for 2,3,4-trimethyl-6,7-dihydrothieno[3,2-c]pyridine is CC1=NCCc2sc(C)c(C)c21.
What is the InChIKey of 2,3,4-trimethyl-6,7-dihydrothieno[3,2-c]pyridine?
The InChIKey is BRHJUXCTUVZTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NS/c1-6-8(3)12-9-4-5-11-7(2)10(6)9/h4-5H2,1-3H3.
What are the key properties of 2,3,4-trimethyl-6,7-dihydrothieno[3,2-c]pyridine?
2,3,4-trimethyl-6,7-dihydrothieno[3,2-c]pyridine has a molecular weight of 179.29 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethyl-6,7-dihydrothieno[3,2-c]pyridine is sourced from PubChem (CID 59663091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).