4-(2-carbamoylthieno[2,3-c]pyridin-4-yl)oxybenzenediazonium

C14H9N4O2S+ — CID 11069022

IUPAC4-(2-carbamoylthieno[2,3-c]pyridin-4-yl)oxybenzenediazonium
SMILESN#[N+]c1ccc(Oc2cncc3sc(C(N)=O)cc23)cc1
InChIInChI=1S/C14H8N4O2S/c15-14(19)12-5-10-11(6-17-7-13(10)21-12)20-9-3-1-8(18-16)2-4-9/h1-7H,(H-,15,19)/p+1
InChIKeyKXFCAFJSJGUJAG-UHFFFAOYSA-O
MW297.32 g/mol
LogP3.67
Rot. Bonds3

About 4-(2-carbamoylthieno[2,3-c]pyridin-4-yl)oxybenzenediazonium

4-(2-carbamoylthieno[2,3-c]pyridin-4-yl)oxybenzenediazonium (PubChem CID 11069022) has the molecular formula C14H9N4O2S+ and a molecular weight of 297.32 g/mol. Its IUPAC name is 4-(2-carbamoylthieno[2,3-c]pyridin-4-yl)oxybenzenediazonium.

Molecular Properties

Compound Name4-(2-carbamoylthieno[2,3-c]pyridin-4-yl)oxybenzenediazonium
PubChem CID11069022
Molecular FormulaC14H9N4O2S+
Molecular Weight297.32 g/mol
Exact Mass297.04
IUPAC Name4-(2-carbamoylthieno[2,3-c]pyridin-4-yl)oxybenzenediazonium
SMILESN#[N+]c1ccc(Oc2cncc3sc(C(N)=O)cc23)cc1
InChIInChI=1S/C14H8N4O2S/c15-14(19)12-5-10-11(6-17-7-13(10)21-12)20-9-3-1-8(18-16)2-4-9/h1-7H,(H-,15,19)/p+1
InChIKeyKXFCAFJSJGUJAG-UHFFFAOYSA-O
XLogP3.67
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-carbamoylthieno[2,3-c]pyridin-4-yl)oxybenzenediazonium?
The IUPAC name of 4-(2-carbamoylthieno[2,3-c]pyridin-4-yl)oxybenzenediazonium (CID 11069022) is 4-(2-carbamoylthieno[2,3-c]pyridin-4-yl)oxybenzenediazonium.
What is the SMILES notation for 4-(2-carbamoylthieno[2,3-c]pyridin-4-yl)oxybenzenediazonium?
The canonical SMILES for 4-(2-carbamoylthieno[2,3-c]pyridin-4-yl)oxybenzenediazonium is N#[N+]c1ccc(Oc2cncc3sc(C(N)=O)cc23)cc1.
What is the InChIKey of 4-(2-carbamoylthieno[2,3-c]pyridin-4-yl)oxybenzenediazonium?
The InChIKey is KXFCAFJSJGUJAG-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H8N4O2S/c15-14(19)12-5-10-11(6-17-7-13(10)21-12)20-9-3-1-8(18-16)2-4-9/h1-7H,(H-,15,19)/p+1.
What are the key properties of 4-(2-carbamoylthieno[2,3-c]pyridin-4-yl)oxybenzenediazonium?
4-(2-carbamoylthieno[2,3-c]pyridin-4-yl)oxybenzenediazonium has a molecular weight of 297.32 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-carbamoylthieno[2,3-c]pyridin-4-yl)oxybenzenediazonium is sourced from PubChem (CID 11069022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).