4-propan-2-yloxy-2-thiophen-2-ylpyridine

C12H13NOS — CID 58755657

IUPAC4-propan-2-yloxy-2-thiophen-2-ylpyridine
SMILESCC(C)Oc1ccnc(-c2cccs2)c1
InChIInChI=1S/C12H13NOS/c1-9(2)14-10-5-6-13-11(8-10)12-4-3-7-15-12/h3-9H,1-2H3
InChIKeyISQDGINDSCSGFK-UHFFFAOYSA-N
MW219.31 g/mol
LogP3.60
Rot. Bonds3

About 4-propan-2-yloxy-2-thiophen-2-ylpyridine

4-propan-2-yloxy-2-thiophen-2-ylpyridine (PubChem CID 58755657) has the molecular formula C12H13NOS and a molecular weight of 219.31 g/mol. Its IUPAC name is 4-propan-2-yloxy-2-thiophen-2-ylpyridine.

Molecular Properties

Compound Name4-propan-2-yloxy-2-thiophen-2-ylpyridine
PubChem CID58755657
Molecular FormulaC12H13NOS
Molecular Weight219.31 g/mol
Exact Mass219.07
IUPAC Name4-propan-2-yloxy-2-thiophen-2-ylpyridine
SMILESCC(C)Oc1ccnc(-c2cccs2)c1
InChIInChI=1S/C12H13NOS/c1-9(2)14-10-5-6-13-11(8-10)12-4-3-7-15-12/h3-9H,1-2H3
InChIKeyISQDGINDSCSGFK-UHFFFAOYSA-N
XLogP3.60
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-propan-2-yloxy-2-thiophen-2-ylpyridine 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 4-propan-2-yloxy-2-thiophen-2-ylpyridine?
The IUPAC name of 4-propan-2-yloxy-2-thiophen-2-ylpyridine (CID 58755657) is 4-propan-2-yloxy-2-thiophen-2-ylpyridine.
What is the SMILES notation for 4-propan-2-yloxy-2-thiophen-2-ylpyridine?
The canonical SMILES for 4-propan-2-yloxy-2-thiophen-2-ylpyridine is CC(C)Oc1ccnc(-c2cccs2)c1.
What is the InChIKey of 4-propan-2-yloxy-2-thiophen-2-ylpyridine?
The InChIKey is ISQDGINDSCSGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NOS/c1-9(2)14-10-5-6-13-11(8-10)12-4-3-7-15-12/h3-9H,1-2H3.
What are the key properties of 4-propan-2-yloxy-2-thiophen-2-ylpyridine?
4-propan-2-yloxy-2-thiophen-2-ylpyridine has a molecular weight of 219.31 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-2-thiophen-2-ylpyridine is sourced from PubChem (CID 58755657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).