ethane;(2,4,6-trimethylthieno[2,3-b]pyridin-5-yl)methanol

C13H19NOS — CID 143804502

IUPACethane;(2,4,6-trimethylthieno[2,3-b]pyridin-5-yl)methanol
SMILESCC.Cc1cc2c(C)c(CO)c(C)nc2s1
InChIInChI=1S/C11H13NOS.C2H6/c1-6-4-9-7(2)10(5-13)8(3)12-11(9)14-6;1-2/h4,13H,5H2,1-3H3;1-2H3
InChIKeyKPHLLBLJNAUIHR-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.74
Rot. Bonds1

About ethane;(2,4,6-trimethylthieno[2,3-b]pyridin-5-yl)methanol

ethane;(2,4,6-trimethylthieno[2,3-b]pyridin-5-yl)methanol (PubChem CID 143804502) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is ethane;(2,4,6-trimethylthieno[2,3-b]pyridin-5-yl)methanol.

Molecular Properties

Compound Nameethane;(2,4,6-trimethylthieno[2,3-b]pyridin-5-yl)methanol
PubChem CID143804502
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Nameethane;(2,4,6-trimethylthieno[2,3-b]pyridin-5-yl)methanol
SMILESCC.Cc1cc2c(C)c(CO)c(C)nc2s1
InChIInChI=1S/C11H13NOS.C2H6/c1-6-4-9-7(2)10(5-13)8(3)12-11(9)14-6;1-2/h4,13H,5H2,1-3H3;1-2H3
InChIKeyKPHLLBLJNAUIHR-UHFFFAOYSA-N
XLogP3.74
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethane;(2,4,6-trimethylthieno[2,3-b]pyridin-5-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;(2,4,6-trimethylthieno[2,3-b]pyridin-5-yl)methanol?
The IUPAC name of ethane;(2,4,6-trimethylthieno[2,3-b]pyridin-5-yl)methanol (CID 143804502) is ethane;(2,4,6-trimethylthieno[2,3-b]pyridin-5-yl)methanol.
What is the SMILES notation for ethane;(2,4,6-trimethylthieno[2,3-b]pyridin-5-yl)methanol?
The canonical SMILES for ethane;(2,4,6-trimethylthieno[2,3-b]pyridin-5-yl)methanol is CC.Cc1cc2c(C)c(CO)c(C)nc2s1.
What is the InChIKey of ethane;(2,4,6-trimethylthieno[2,3-b]pyridin-5-yl)methanol?
The InChIKey is KPHLLBLJNAUIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS.C2H6/c1-6-4-9-7(2)10(5-13)8(3)12-11(9)14-6;1-2/h4,13H,5H2,1-3H3;1-2H3.
What are the key properties of ethane;(2,4,6-trimethylthieno[2,3-b]pyridin-5-yl)methanol?
ethane;(2,4,6-trimethylthieno[2,3-b]pyridin-5-yl)methanol has a molecular weight of 237.37 g/mol, XLogP of 3.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2,4,6-trimethylthieno[2,3-b]pyridin-5-yl)methanol is sourced from PubChem (CID 143804502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).