2-[1-(thian-3-yl)pyrazol-4-yl]ethanol

C10H16N2OS — CID 105466272

IUPAC2-[1-(thian-3-yl)pyrazol-4-yl]ethanol
SMILESOCCc1cnn(C2CCCSC2)c1
InChIInChI=1S/C10H16N2OS/c13-4-3-9-6-11-12(7-9)10-2-1-5-14-8-10/h6-7,10,13H,1-5,8H2
InChIKeyAZVKDKBIZINYED-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.49
Rot. Bonds3

About 2-[1-(thian-3-yl)pyrazol-4-yl]ethanol

2-[1-(thian-3-yl)pyrazol-4-yl]ethanol (PubChem CID 105466272) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 2-[1-(thian-3-yl)pyrazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-(thian-3-yl)pyrazol-4-yl]ethanol
PubChem CID105466272
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name2-[1-(thian-3-yl)pyrazol-4-yl]ethanol
SMILESOCCc1cnn(C2CCCSC2)c1
InChIInChI=1S/C10H16N2OS/c13-4-3-9-6-11-12(7-9)10-2-1-5-14-8-10/h6-7,10,13H,1-5,8H2
InChIKeyAZVKDKBIZINYED-UHFFFAOYSA-N
XLogP1.49
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-(thian-3-yl)pyrazol-4-yl]ethanol 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 2-[1-(thian-3-yl)pyrazol-4-yl]ethanol?
The IUPAC name of 2-[1-(thian-3-yl)pyrazol-4-yl]ethanol (CID 105466272) is 2-[1-(thian-3-yl)pyrazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-(thian-3-yl)pyrazol-4-yl]ethanol?
The canonical SMILES for 2-[1-(thian-3-yl)pyrazol-4-yl]ethanol is OCCc1cnn(C2CCCSC2)c1.
What is the InChIKey of 2-[1-(thian-3-yl)pyrazol-4-yl]ethanol?
The InChIKey is AZVKDKBIZINYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c13-4-3-9-6-11-12(7-9)10-2-1-5-14-8-10/h6-7,10,13H,1-5,8H2.
What are the key properties of 2-[1-(thian-3-yl)pyrazol-4-yl]ethanol?
2-[1-(thian-3-yl)pyrazol-4-yl]ethanol has a molecular weight of 212.32 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(thian-3-yl)pyrazol-4-yl]ethanol is sourced from PubChem (CID 105466272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).