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

C13H17NS — CID 58519644

IUPAC4,6,7-trimethyl-2-propan-2-ylthieno[3,2-c]pyridine
SMILESCc1nc(C)c2cc(C(C)C)sc2c1C
InChIInChI=1S/C13H17NS/c1-7(2)12-6-11-10(5)14-9(4)8(3)13(11)15-12/h6-7H,1-5H3
InChIKeyTWUDYGDQFIDNOG-UHFFFAOYSA-N
MW219.35 g/mol
LogP4.34
Rot. Bonds1

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

4,6,7-trimethyl-2-propan-2-ylthieno[3,2-c]pyridine (PubChem CID 58519644) has the molecular formula C13H17NS and a molecular weight of 219.35 g/mol. Its IUPAC name is 4,6,7-trimethyl-2-propan-2-ylthieno[3,2-c]pyridine.

Molecular Properties

Compound Name4,6,7-trimethyl-2-propan-2-ylthieno[3,2-c]pyridine
PubChem CID58519644
Molecular FormulaC13H17NS
Molecular Weight219.35 g/mol
Exact Mass219.11
IUPAC Name4,6,7-trimethyl-2-propan-2-ylthieno[3,2-c]pyridine
SMILESCc1nc(C)c2cc(C(C)C)sc2c1C
InChIInChI=1S/C13H17NS/c1-7(2)12-6-11-10(5)14-9(4)8(3)13(11)15-12/h6-7H,1-5H3
InChIKeyTWUDYGDQFIDNOG-UHFFFAOYSA-N
XLogP4.34
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6,7-trimethyl-2-propan-2-ylthieno[3,2-c]pyridine?
The IUPAC name of 4,6,7-trimethyl-2-propan-2-ylthieno[3,2-c]pyridine (CID 58519644) is 4,6,7-trimethyl-2-propan-2-ylthieno[3,2-c]pyridine.
What is the SMILES notation for 4,6,7-trimethyl-2-propan-2-ylthieno[3,2-c]pyridine?
The canonical SMILES for 4,6,7-trimethyl-2-propan-2-ylthieno[3,2-c]pyridine is Cc1nc(C)c2cc(C(C)C)sc2c1C.
What is the InChIKey of 4,6,7-trimethyl-2-propan-2-ylthieno[3,2-c]pyridine?
The InChIKey is TWUDYGDQFIDNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NS/c1-7(2)12-6-11-10(5)14-9(4)8(3)13(11)15-12/h6-7H,1-5H3.
What are the key properties of 4,6,7-trimethyl-2-propan-2-ylthieno[3,2-c]pyridine?
4,6,7-trimethyl-2-propan-2-ylthieno[3,2-c]pyridine has a molecular weight of 219.35 g/mol, XLogP of 4.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,7-trimethyl-2-propan-2-ylthieno[3,2-c]pyridine is sourced from PubChem (CID 58519644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).