2,2-dimethyl-1-thieno[3,2-b]pyridin-6-ylpropan-1-ol

C12H15NOS — CID 81143466

IUPAC2,2-dimethyl-1-thieno[3,2-b]pyridin-6-ylpropan-1-ol
SMILESCC(C)(C)C(O)c1cnc2ccsc2c1
InChIInChI=1S/C12H15NOS/c1-12(2,3)11(14)8-6-10-9(13-7-8)4-5-15-10/h4-7,11,14H,1-3H3
InChIKeyRUQHGUBFKCLVQE-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.38
Rot. Bonds1

About 2,2-dimethyl-1-thieno[3,2-b]pyridin-6-ylpropan-1-ol

2,2-dimethyl-1-thieno[3,2-b]pyridin-6-ylpropan-1-ol (PubChem CID 81143466) has the molecular formula C12H15NOS and a molecular weight of 221.32 g/mol. Its IUPAC name is 2,2-dimethyl-1-thieno[3,2-b]pyridin-6-ylpropan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-1-thieno[3,2-b]pyridin-6-ylpropan-1-ol
PubChem CID81143466
Molecular FormulaC12H15NOS
Molecular Weight221.32 g/mol
Exact Mass221.09
IUPAC Name2,2-dimethyl-1-thieno[3,2-b]pyridin-6-ylpropan-1-ol
SMILESCC(C)(C)C(O)c1cnc2ccsc2c1
InChIInChI=1S/C12H15NOS/c1-12(2,3)11(14)8-6-10-9(13-7-8)4-5-15-10/h4-7,11,14H,1-3H3
InChIKeyRUQHGUBFKCLVQE-UHFFFAOYSA-N
XLogP3.38
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-thieno[3,2-b]pyridin-6-ylpropan-1-ol?
The IUPAC name of 2,2-dimethyl-1-thieno[3,2-b]pyridin-6-ylpropan-1-ol (CID 81143466) is 2,2-dimethyl-1-thieno[3,2-b]pyridin-6-ylpropan-1-ol.
What is the SMILES notation for 2,2-dimethyl-1-thieno[3,2-b]pyridin-6-ylpropan-1-ol?
The canonical SMILES for 2,2-dimethyl-1-thieno[3,2-b]pyridin-6-ylpropan-1-ol is CC(C)(C)C(O)c1cnc2ccsc2c1.
What is the InChIKey of 2,2-dimethyl-1-thieno[3,2-b]pyridin-6-ylpropan-1-ol?
The InChIKey is RUQHGUBFKCLVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS/c1-12(2,3)11(14)8-6-10-9(13-7-8)4-5-15-10/h4-7,11,14H,1-3H3.
What are the key properties of 2,2-dimethyl-1-thieno[3,2-b]pyridin-6-ylpropan-1-ol?
2,2-dimethyl-1-thieno[3,2-b]pyridin-6-ylpropan-1-ol has a molecular weight of 221.32 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-thieno[3,2-b]pyridin-6-ylpropan-1-ol is sourced from PubChem (CID 81143466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).