4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carboximidamide

C20H15N3OS — CID 58622591

IUPAC4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc2c(Oc3ccc(-c4ccccc4)cc3)cncc2s1
InChIInChI=1S/C20H15N3OS/c21-20(22)18-10-16-17(11-23-12-19(16)25-18)24-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H3,21,22)
InChIKeyIPYVCHJCXHTBPA-UHFFFAOYSA-N
MW345.43 g/mol
LogP5.04
Rot. Bonds4

About 4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carboximidamide

4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carboximidamide (PubChem CID 58622591) has the molecular formula C20H15N3OS and a molecular weight of 345.43 g/mol. Its IUPAC name is 4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carboximidamide.

Molecular Properties

Compound Name4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carboximidamide
PubChem CID58622591
Molecular FormulaC20H15N3OS
Molecular Weight345.43 g/mol
Exact Mass345.09
IUPAC Name4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc2c(Oc3ccc(-c4ccccc4)cc3)cncc2s1
InChIInChI=1S/C20H15N3OS/c21-20(22)18-10-16-17(11-23-12-19(16)25-18)24-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H3,21,22)
InChIKeyIPYVCHJCXHTBPA-UHFFFAOYSA-N
XLogP5.04
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.43
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-[(2S)-2-amino-3-(1-benzothiophen-3-yl)propoxy]-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridine
CID 10287346
5-[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]-1H-1,2,3,4-tetrazole
CID 25218754
4-(4-Vinyl-phenoxy)-thieno[2,3-c]pyridine-2-carboxylic acid amide
CID 9900816
4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxybenzonitrile
CID 127048191
4-(4-Isopropyl-phenoxy)-thieno[2,3-c]pyridine-2-carboxylic acid amide
CID 9922793
4-(4-Ethyl-phenoxy)-thieno[2,3-c]pyridine-2-carboxylic acid amide
CID 9944101
4-(Biphenyl-4-yloxy)-thieno[2,3-c]pyridine-2-carboxylic acid methylamide
CID 9946991
4-(4-tert-Butyl-phenoxy)-thieno[2,3-c]pyridine-2-carboxylic acid amide
CID 9967126
4-(4-Octylphenoxy)thieno[2,3-c]pyridine-2-carboxamide
CID 10221525
3-(4-Phenoxyphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)thieno[3,2-c]pyridin-4-amine
CID 122188633
2-(2H-tetrazol-5-yl)-4-[4-[4-(trifluoromethyl)phenyl]phenoxy]thieno[2,3-c]pyridine
CID 25211459
4-[4-(2-chlorophenyl)phenoxy]-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine
CID 44580056

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carboximidamide?
The IUPAC name of 4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carboximidamide (CID 58622591) is 4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carboximidamide.
What is the SMILES notation for 4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carboximidamide?
The canonical SMILES for 4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carboximidamide is [H]/N=C(\N)c1cc2c(Oc3ccc(-c4ccccc4)cc3)cncc2s1.
What is the InChIKey of 4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carboximidamide?
The InChIKey is IPYVCHJCXHTBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3OS/c21-20(22)18-10-16-17(11-23-12-19(16)25-18)24-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H3,21,22).
What are the key properties of 4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carboximidamide?
4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carboximidamide has a molecular weight of 345.43 g/mol, XLogP of 5.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carboximidamide is sourced from PubChem (CID 58622591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).