6-tert-butyl-N-methylthieno[3,2-b]pyridin-5-amine

C12H16N2S — CID 66355413

IUPAC6-tert-butyl-N-methylthieno[3,2-b]pyridin-5-amine
SMILESCNc1nc2ccsc2cc1C(C)(C)C
InChIInChI=1S/C12H16N2S/c1-12(2,3)8-7-10-9(5-6-15-10)14-11(8)13-4/h5-7H,1-4H3,(H,13,14)
InChIKeyVNVIBDAXEPWGSI-UHFFFAOYSA-N
MW220.34 g/mol
LogP3.64
Rot. Bonds1

About 6-tert-butyl-N-methylthieno[3,2-b]pyridin-5-amine

6-tert-butyl-N-methylthieno[3,2-b]pyridin-5-amine (PubChem CID 66355413) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 6-tert-butyl-N-methylthieno[3,2-b]pyridin-5-amine.

Molecular Properties

Compound Name6-tert-butyl-N-methylthieno[3,2-b]pyridin-5-amine
PubChem CID66355413
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC Name6-tert-butyl-N-methylthieno[3,2-b]pyridin-5-amine
SMILESCNc1nc2ccsc2cc1C(C)(C)C
InChIInChI=1S/C12H16N2S/c1-12(2,3)8-7-10-9(5-6-15-10)14-11(8)13-4/h5-7H,1-4H3,(H,13,14)
InChIKeyVNVIBDAXEPWGSI-UHFFFAOYSA-N
XLogP3.64
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-methylthieno[3,2-b]pyridin-5-amine?
The IUPAC name of 6-tert-butyl-N-methylthieno[3,2-b]pyridin-5-amine (CID 66355413) is 6-tert-butyl-N-methylthieno[3,2-b]pyridin-5-amine.
What is the SMILES notation for 6-tert-butyl-N-methylthieno[3,2-b]pyridin-5-amine?
The canonical SMILES for 6-tert-butyl-N-methylthieno[3,2-b]pyridin-5-amine is CNc1nc2ccsc2cc1C(C)(C)C.
What is the InChIKey of 6-tert-butyl-N-methylthieno[3,2-b]pyridin-5-amine?
The InChIKey is VNVIBDAXEPWGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c1-12(2,3)8-7-10-9(5-6-15-10)14-11(8)13-4/h5-7H,1-4H3,(H,13,14).
What are the key properties of 6-tert-butyl-N-methylthieno[3,2-b]pyridin-5-amine?
6-tert-butyl-N-methylthieno[3,2-b]pyridin-5-amine has a molecular weight of 220.34 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-methylthieno[3,2-b]pyridin-5-amine is sourced from PubChem (CID 66355413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).