2-[1-(2-tert-butylthieno[2,3-c]pyridin-5-yl)propan-2-yl]furo[2,3-c]pyridine

C21H22N2OS — CID 146253741

IUPAC2-[1-(2-tert-butylthieno[2,3-c]pyridin-5-yl)propan-2-yl]furo[2,3-c]pyridine
SMILESCC(Cc1cc2cc(C(C)(C)C)sc2cn1)c1cc2ccncc2o1
InChIInChI=1S/C21H22N2OS/c1-13(17-9-14-5-6-22-11-18(14)24-17)7-16-8-15-10-20(21(2,3)4)25-19(15)12-23-16/h5-6,8-13H,7H2,1-4H3
InChIKeyKOQXVLWIPMHHOA-UHFFFAOYSA-N
MW350.49 g/mol
LogP6.08
Rot. Bonds3

About 2-[1-(2-tert-butylthieno[2,3-c]pyridin-5-yl)propan-2-yl]furo[2,3-c]pyridine

2-[1-(2-tert-butylthieno[2,3-c]pyridin-5-yl)propan-2-yl]furo[2,3-c]pyridine (PubChem CID 146253741) has the molecular formula C21H22N2OS and a molecular weight of 350.49 g/mol. Its IUPAC name is 2-[1-(2-tert-butylthieno[2,3-c]pyridin-5-yl)propan-2-yl]furo[2,3-c]pyridine.

Molecular Properties

Compound Name2-[1-(2-tert-butylthieno[2,3-c]pyridin-5-yl)propan-2-yl]furo[2,3-c]pyridine
PubChem CID146253741
Molecular FormulaC21H22N2OS
Molecular Weight350.49 g/mol
Exact Mass350.15
IUPAC Name2-[1-(2-tert-butylthieno[2,3-c]pyridin-5-yl)propan-2-yl]furo[2,3-c]pyridine
SMILESCC(Cc1cc2cc(C(C)(C)C)sc2cn1)c1cc2ccncc2o1
InChIInChI=1S/C21H22N2OS/c1-13(17-9-14-5-6-22-11-18(14)24-17)7-16-8-15-10-20(21(2,3)4)25-19(15)12-23-16/h5-6,8-13H,7H2,1-4H3
InChIKeyKOQXVLWIPMHHOA-UHFFFAOYSA-N
XLogP6.08
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.49
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-tert-butylthieno[2,3-c]pyridin-5-yl)propan-2-yl]furo[2,3-c]pyridine?
The IUPAC name of 2-[1-(2-tert-butylthieno[2,3-c]pyridin-5-yl)propan-2-yl]furo[2,3-c]pyridine (CID 146253741) is 2-[1-(2-tert-butylthieno[2,3-c]pyridin-5-yl)propan-2-yl]furo[2,3-c]pyridine.
What is the SMILES notation for 2-[1-(2-tert-butylthieno[2,3-c]pyridin-5-yl)propan-2-yl]furo[2,3-c]pyridine?
The canonical SMILES for 2-[1-(2-tert-butylthieno[2,3-c]pyridin-5-yl)propan-2-yl]furo[2,3-c]pyridine is CC(Cc1cc2cc(C(C)(C)C)sc2cn1)c1cc2ccncc2o1.
What is the InChIKey of 2-[1-(2-tert-butylthieno[2,3-c]pyridin-5-yl)propan-2-yl]furo[2,3-c]pyridine?
The InChIKey is KOQXVLWIPMHHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2OS/c1-13(17-9-14-5-6-22-11-18(14)24-17)7-16-8-15-10-20(21(2,3)4)25-19(15)12-23-16/h5-6,8-13H,7H2,1-4H3.
What are the key properties of 2-[1-(2-tert-butylthieno[2,3-c]pyridin-5-yl)propan-2-yl]furo[2,3-c]pyridine?
2-[1-(2-tert-butylthieno[2,3-c]pyridin-5-yl)propan-2-yl]furo[2,3-c]pyridine has a molecular weight of 350.49 g/mol, XLogP of 6.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-tert-butylthieno[2,3-c]pyridin-5-yl)propan-2-yl]furo[2,3-c]pyridine is sourced from PubChem (CID 146253741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).