3-amino-N',N'-dimethyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbohydrazide

C11H11F3N4OS — CID 83024536

IUPAC3-amino-N',N'-dimethyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbohydrazide
SMILESCN(C)NC(=O)c1sc2nc(C(F)(F)F)ccc2c1N
InChIInChI=1S/C11H11F3N4OS/c1-18(2)17-9(19)8-7(15)5-3-4-6(11(12,13)14)16-10(5)20-8/h3-4H,15H2,1-2H3,(H,17,19)
InChIKeyDOJORLQDQNTJSU-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.10
Rot. Bonds2

About 3-amino-N',N'-dimethyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbohydrazide

3-amino-N',N'-dimethyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbohydrazide (PubChem CID 83024536) has the molecular formula C11H11F3N4OS and a molecular weight of 304.30 g/mol. Its IUPAC name is 3-amino-N',N'-dimethyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbohydrazide.

Molecular Properties

Compound Name3-amino-N',N'-dimethyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbohydrazide
PubChem CID83024536
Molecular FormulaC11H11F3N4OS
Molecular Weight304.30 g/mol
Exact Mass304.06
IUPAC Name3-amino-N',N'-dimethyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbohydrazide
SMILESCN(C)NC(=O)c1sc2nc(C(F)(F)F)ccc2c1N
InChIInChI=1S/C11H11F3N4OS/c1-18(2)17-9(19)8-7(15)5-3-4-6(11(12,13)14)16-10(5)20-8/h3-4H,15H2,1-2H3,(H,17,19)
InChIKeyDOJORLQDQNTJSU-UHFFFAOYSA-N
XLogP2.10
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N',N'-dimethyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbohydrazide?
The IUPAC name of 3-amino-N',N'-dimethyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbohydrazide (CID 83024536) is 3-amino-N',N'-dimethyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbohydrazide.
What is the SMILES notation for 3-amino-N',N'-dimethyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbohydrazide?
The canonical SMILES for 3-amino-N',N'-dimethyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbohydrazide is CN(C)NC(=O)c1sc2nc(C(F)(F)F)ccc2c1N.
What is the InChIKey of 3-amino-N',N'-dimethyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbohydrazide?
The InChIKey is DOJORLQDQNTJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4OS/c1-18(2)17-9(19)8-7(15)5-3-4-6(11(12,13)14)16-10(5)20-8/h3-4H,15H2,1-2H3,(H,17,19).
What are the key properties of 3-amino-N',N'-dimethyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbohydrazide?
3-amino-N',N'-dimethyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbohydrazide has a molecular weight of 304.30 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N',N'-dimethyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbohydrazide is sourced from PubChem (CID 83024536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).