[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine

C13H13F3N4S — CID 102720959

IUPAC[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
SMILESNNc1cc(C(F)(F)F)cc(N2CCc3sccc3C2)n1
InChIInChI=1S/C13H13F3N4S/c14-13(15,16)9-5-11(19-17)18-12(6-9)20-3-1-10-8(7-20)2-4-21-10/h2,4-6H,1,3,7,17H2,(H,18,19)
InChIKeyUDJKISFNIDCKQJ-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.01
Rot. Bonds2

About [6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine

[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine (PubChem CID 102720959) has the molecular formula C13H13F3N4S and a molecular weight of 314.34 g/mol. Its IUPAC name is [6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
PubChem CID102720959
Molecular FormulaC13H13F3N4S
Molecular Weight314.34 g/mol
Exact Mass314.08
IUPAC Name[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
SMILESNNc1cc(C(F)(F)F)cc(N2CCc3sccc3C2)n1
InChIInChI=1S/C13H13F3N4S/c14-13(15,16)9-5-11(19-17)18-12(6-9)20-3-1-10-8(7-20)2-4-21-10/h2,4-6H,1,3,7,17H2,(H,18,19)
InChIKeyUDJKISFNIDCKQJ-UHFFFAOYSA-N
XLogP3.01
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine 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 [6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine?
The IUPAC name of [6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine (CID 102720959) is [6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine.
What is the SMILES notation for [6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine?
The canonical SMILES for [6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine is NNc1cc(C(F)(F)F)cc(N2CCc3sccc3C2)n1.
What is the InChIKey of [6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine?
The InChIKey is UDJKISFNIDCKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4S/c14-13(15,16)9-5-11(19-17)18-12(6-9)20-3-1-10-8(7-20)2-4-21-10/h2,4-6H,1,3,7,17H2,(H,18,19).
What are the key properties of [6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine?
[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine has a molecular weight of 314.34 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine is sourced from PubChem (CID 102720959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).