(2-amino-3-pyridinyl)-thiophen-2-ylmethanone

C10H8N2OS — CID 12711132

IUPAC(2-amino-3-pyridinyl)-thiophen-2-ylmethanone
SMILESNc1ncccc1C(=O)c1cccs1
InChIInChI=1S/C10H8N2OS/c11-10-7(3-1-5-12-10)9(13)8-4-2-6-14-8/h1-6H,(H2,11,12)
InChIKeyHVLKHOXVICIZCB-UHFFFAOYSA-N
MW204.25 g/mol
LogP1.96
Rot. Bonds2

About (2-amino-3-pyridinyl)-thiophen-2-ylmethanone

(2-amino-3-pyridinyl)-thiophen-2-ylmethanone (PubChem CID 12711132) has the molecular formula C10H8N2OS and a molecular weight of 204.25 g/mol. Its IUPAC name is (2-amino-3-pyridinyl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(2-amino-3-pyridinyl)-thiophen-2-ylmethanone
PubChem CID12711132
Molecular FormulaC10H8N2OS
Molecular Weight204.25 g/mol
Exact Mass204.04
IUPAC Name(2-amino-3-pyridinyl)-thiophen-2-ylmethanone
SMILESNc1ncccc1C(=O)c1cccs1
InChIInChI=1S/C10H8N2OS/c11-10-7(3-1-5-12-10)9(13)8-4-2-6-14-8/h1-6H,(H2,11,12)
InChIKeyHVLKHOXVICIZCB-UHFFFAOYSA-N
XLogP1.96
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-amino-3-pyridinyl)-thiophen-2-ylmethanone?
The IUPAC name of (2-amino-3-pyridinyl)-thiophen-2-ylmethanone (CID 12711132) is (2-amino-3-pyridinyl)-thiophen-2-ylmethanone.
What is the SMILES notation for (2-amino-3-pyridinyl)-thiophen-2-ylmethanone?
The canonical SMILES for (2-amino-3-pyridinyl)-thiophen-2-ylmethanone is Nc1ncccc1C(=O)c1cccs1.
What is the InChIKey of (2-amino-3-pyridinyl)-thiophen-2-ylmethanone?
The InChIKey is HVLKHOXVICIZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2OS/c11-10-7(3-1-5-12-10)9(13)8-4-2-6-14-8/h1-6H,(H2,11,12).
What are the key properties of (2-amino-3-pyridinyl)-thiophen-2-ylmethanone?
(2-amino-3-pyridinyl)-thiophen-2-ylmethanone has a molecular weight of 204.25 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-pyridinyl)-thiophen-2-ylmethanone is sourced from PubChem (CID 12711132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).