(2,6-diamino-3-pyridinyl)-thiophen-2-ylmethanone

C10H9N3OS — CID 5330844

IUPAC(2,6-diamino-3-pyridinyl)-thiophen-2-ylmethanone
SMILESNc1ccc(C(=O)c2cccs2)c(N)n1
InChIInChI=1S/C10H9N3OS/c11-8-4-3-6(10(12)13-8)9(14)7-2-1-5-15-7/h1-5H,(H4,11,12,13)
InChIKeyKPJJUIBQHBVQKT-UHFFFAOYSA-N
MW219.27 g/mol
LogP1.54
Rot. Bonds2

About (2,6-diamino-3-pyridinyl)-thiophen-2-ylmethanone

(2,6-diamino-3-pyridinyl)-thiophen-2-ylmethanone (PubChem CID 5330844) has the molecular formula C10H9N3OS and a molecular weight of 219.27 g/mol. Its IUPAC name is (2,6-diamino-3-pyridinyl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(2,6-diamino-3-pyridinyl)-thiophen-2-ylmethanone
PubChem CID5330844
Molecular FormulaC10H9N3OS
Molecular Weight219.27 g/mol
Exact Mass219.05
IUPAC Name(2,6-diamino-3-pyridinyl)-thiophen-2-ylmethanone
SMILESNc1ccc(C(=O)c2cccs2)c(N)n1
InChIInChI=1S/C10H9N3OS/c11-8-4-3-6(10(12)13-8)9(14)7-2-1-5-15-7/h1-5H,(H4,11,12,13)
InChIKeyKPJJUIBQHBVQKT-UHFFFAOYSA-N
XLogP1.54
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,6-diamino-3-pyridinyl)-thiophen-2-ylmethanone?
The IUPAC name of (2,6-diamino-3-pyridinyl)-thiophen-2-ylmethanone (CID 5330844) is (2,6-diamino-3-pyridinyl)-thiophen-2-ylmethanone.
What is the SMILES notation for (2,6-diamino-3-pyridinyl)-thiophen-2-ylmethanone?
The canonical SMILES for (2,6-diamino-3-pyridinyl)-thiophen-2-ylmethanone is Nc1ccc(C(=O)c2cccs2)c(N)n1.
What is the InChIKey of (2,6-diamino-3-pyridinyl)-thiophen-2-ylmethanone?
The InChIKey is KPJJUIBQHBVQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3OS/c11-8-4-3-6(10(12)13-8)9(14)7-2-1-5-15-7/h1-5H,(H4,11,12,13).
What are the key properties of (2,6-diamino-3-pyridinyl)-thiophen-2-ylmethanone?
(2,6-diamino-3-pyridinyl)-thiophen-2-ylmethanone has a molecular weight of 219.27 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-diamino-3-pyridinyl)-thiophen-2-ylmethanone is sourced from PubChem (CID 5330844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).