5-bromo-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)furan-3-carboxamide

C16H9BrN4O2S — CID 167862934

IUPAC5-bromo-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)furan-3-carboxamide
SMILESO=C(Nc1nc(-c2ccccn2)nc2sccc12)c1coc(Br)c1
InChIInChI=1S/C16H9BrN4O2S/c17-12-7-9(8-23-12)15(22)20-13-10-4-6-24-16(10)21-14(19-13)11-3-1-2-5-18-11/h1-8H,(H,19,20,21,22)
InChIKeyCJJXYLDYDIKILA-UHFFFAOYSA-N
MW401.25 g/mol
LogP4.36
Rot. Bonds3

About 5-bromo-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)furan-3-carboxamide

5-bromo-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)furan-3-carboxamide (PubChem CID 167862934) has the molecular formula C16H9BrN4O2S and a molecular weight of 401.25 g/mol. Its IUPAC name is 5-bromo-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)furan-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)furan-3-carboxamide
PubChem CID167862934
Molecular FormulaC16H9BrN4O2S
Molecular Weight401.25 g/mol
Exact Mass399.96
IUPAC Name5-bromo-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)furan-3-carboxamide
SMILESO=C(Nc1nc(-c2ccccn2)nc2sccc12)c1coc(Br)c1
InChIInChI=1S/C16H9BrN4O2S/c17-12-7-9(8-23-12)15(22)20-13-10-4-6-24-16(10)21-14(19-13)11-3-1-2-5-18-11/h1-8H,(H,19,20,21,22)
InChIKeyCJJXYLDYDIKILA-UHFFFAOYSA-N
XLogP4.36
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.25
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)furan-3-carboxamide?
The IUPAC name of 5-bromo-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)furan-3-carboxamide (CID 167862934) is 5-bromo-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)furan-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)furan-3-carboxamide?
The canonical SMILES for 5-bromo-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)furan-3-carboxamide is O=C(Nc1nc(-c2ccccn2)nc2sccc12)c1coc(Br)c1.
What is the InChIKey of 5-bromo-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)furan-3-carboxamide?
The InChIKey is CJJXYLDYDIKILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrN4O2S/c17-12-7-9(8-23-12)15(22)20-13-10-4-6-24-16(10)21-14(19-13)11-3-1-2-5-18-11/h1-8H,(H,19,20,21,22).
What are the key properties of 5-bromo-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)furan-3-carboxamide?
5-bromo-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)furan-3-carboxamide has a molecular weight of 401.25 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)furan-3-carboxamide is sourced from PubChem (CID 167862934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).