7-(4-amino-2-fluorophenoxy)-N,N',N'-trimethylthieno[3,2-b]pyridine-2-carbohydrazide

C17H17FN4O2S — CID 58790202

IUPAC7-(4-amino-2-fluorophenoxy)-N,N',N'-trimethylthieno[3,2-b]pyridine-2-carbohydrazide
SMILESCN(C)N(C)C(=O)c1cc2nccc(Oc3ccc(N)cc3F)c2s1
InChIInChI=1S/C17H17FN4O2S/c1-21(2)22(3)17(23)15-9-12-16(25-15)14(6-7-20-12)24-13-5-4-10(19)8-11(13)18/h4-9H,19H2,1-3H3
InChIKeyOSFFVGCQZKWLIU-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.36
Rot. Bonds4

About 7-(4-amino-2-fluorophenoxy)-N,N',N'-trimethylthieno[3,2-b]pyridine-2-carbohydrazide

7-(4-amino-2-fluorophenoxy)-N,N',N'-trimethylthieno[3,2-b]pyridine-2-carbohydrazide (PubChem CID 58790202) has the molecular formula C17H17FN4O2S and a molecular weight of 360.41 g/mol. Its IUPAC name is 7-(4-amino-2-fluorophenoxy)-N,N',N'-trimethylthieno[3,2-b]pyridine-2-carbohydrazide.

Molecular Properties

Compound Name7-(4-amino-2-fluorophenoxy)-N,N',N'-trimethylthieno[3,2-b]pyridine-2-carbohydrazide
PubChem CID58790202
Molecular FormulaC17H17FN4O2S
Molecular Weight360.41 g/mol
Exact Mass360.11
IUPAC Name7-(4-amino-2-fluorophenoxy)-N,N',N'-trimethylthieno[3,2-b]pyridine-2-carbohydrazide
SMILESCN(C)N(C)C(=O)c1cc2nccc(Oc3ccc(N)cc3F)c2s1
InChIInChI=1S/C17H17FN4O2S/c1-21(2)22(3)17(23)15-9-12-16(25-15)14(6-7-20-12)24-13-5-4-10(19)8-11(13)18/h4-9H,19H2,1-3H3
InChIKeyOSFFVGCQZKWLIU-UHFFFAOYSA-N
XLogP3.36
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(4-amino-2-fluorophenoxy)-N,N',N'-trimethylthieno[3,2-b]pyridine-2-carbohydrazide?
The IUPAC name of 7-(4-amino-2-fluorophenoxy)-N,N',N'-trimethylthieno[3,2-b]pyridine-2-carbohydrazide (CID 58790202) is 7-(4-amino-2-fluorophenoxy)-N,N',N'-trimethylthieno[3,2-b]pyridine-2-carbohydrazide.
What is the SMILES notation for 7-(4-amino-2-fluorophenoxy)-N,N',N'-trimethylthieno[3,2-b]pyridine-2-carbohydrazide?
The canonical SMILES for 7-(4-amino-2-fluorophenoxy)-N,N',N'-trimethylthieno[3,2-b]pyridine-2-carbohydrazide is CN(C)N(C)C(=O)c1cc2nccc(Oc3ccc(N)cc3F)c2s1.
What is the InChIKey of 7-(4-amino-2-fluorophenoxy)-N,N',N'-trimethylthieno[3,2-b]pyridine-2-carbohydrazide?
The InChIKey is OSFFVGCQZKWLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2S/c1-21(2)22(3)17(23)15-9-12-16(25-15)14(6-7-20-12)24-13-5-4-10(19)8-11(13)18/h4-9H,19H2,1-3H3.
What are the key properties of 7-(4-amino-2-fluorophenoxy)-N,N',N'-trimethylthieno[3,2-b]pyridine-2-carbohydrazide?
7-(4-amino-2-fluorophenoxy)-N,N',N'-trimethylthieno[3,2-b]pyridine-2-carbohydrazide has a molecular weight of 360.41 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-amino-2-fluorophenoxy)-N,N',N'-trimethylthieno[3,2-b]pyridine-2-carbohydrazide is sourced from PubChem (CID 58790202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).