3-amino-N-pyrimidin-5-ylthieno[3,2-b]pyridine-2-carboxamide

C12H9N5OS — CID 107590363

IUPAC3-amino-N-pyrimidin-5-ylthieno[3,2-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)Nc2cncnc2)sc2cccnc12
InChIInChI=1S/C12H9N5OS/c13-9-10-8(2-1-3-16-10)19-11(9)12(18)17-7-4-14-6-15-5-7/h1-6H,13H2,(H,17,18)
InChIKeyJSHAUZIHVBZUES-UHFFFAOYSA-N
MW271.31 g/mol
LogP1.92
Rot. Bonds2

About 3-amino-N-pyrimidin-5-ylthieno[3,2-b]pyridine-2-carboxamide

3-amino-N-pyrimidin-5-ylthieno[3,2-b]pyridine-2-carboxamide (PubChem CID 107590363) has the molecular formula C12H9N5OS and a molecular weight of 271.31 g/mol. Its IUPAC name is 3-amino-N-pyrimidin-5-ylthieno[3,2-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-pyrimidin-5-ylthieno[3,2-b]pyridine-2-carboxamide
PubChem CID107590363
Molecular FormulaC12H9N5OS
Molecular Weight271.31 g/mol
Exact Mass271.05
IUPAC Name3-amino-N-pyrimidin-5-ylthieno[3,2-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)Nc2cncnc2)sc2cccnc12
InChIInChI=1S/C12H9N5OS/c13-9-10-8(2-1-3-16-10)19-11(9)12(18)17-7-4-14-6-15-5-7/h1-6H,13H2,(H,17,18)
InChIKeyJSHAUZIHVBZUES-UHFFFAOYSA-N
XLogP1.92
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-pyrimidin-5-ylthieno[3,2-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-pyrimidin-5-ylthieno[3,2-b]pyridine-2-carboxamide (CID 107590363) is 3-amino-N-pyrimidin-5-ylthieno[3,2-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-pyrimidin-5-ylthieno[3,2-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-pyrimidin-5-ylthieno[3,2-b]pyridine-2-carboxamide is Nc1c(C(=O)Nc2cncnc2)sc2cccnc12.
What is the InChIKey of 3-amino-N-pyrimidin-5-ylthieno[3,2-b]pyridine-2-carboxamide?
The InChIKey is JSHAUZIHVBZUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5OS/c13-9-10-8(2-1-3-16-10)19-11(9)12(18)17-7-4-14-6-15-5-7/h1-6H,13H2,(H,17,18).
What are the key properties of 3-amino-N-pyrimidin-5-ylthieno[3,2-b]pyridine-2-carboxamide?
3-amino-N-pyrimidin-5-ylthieno[3,2-b]pyridine-2-carboxamide has a molecular weight of 271.31 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-pyrimidin-5-ylthieno[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 107590363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).