2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide

C15H13N3OS2 — CID 18076538

IUPAC2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide
SMILESCC(Sc1ncnc2sc(-c3ccccc3)cc12)C(N)=O
InChIInChI=1S/C15H13N3OS2/c1-9(13(16)19)20-14-11-7-12(10-5-3-2-4-6-10)21-15(11)18-8-17-14/h2-9H,1H3,(H2,16,19)
InChIKeyQUYQZOCMCIVIDA-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.32
Rot. Bonds4

About 2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide

2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide (PubChem CID 18076538) has the molecular formula C15H13N3OS2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide.

Molecular Properties

Compound Name2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide
PubChem CID18076538
Molecular FormulaC15H13N3OS2
Molecular Weight315.42 g/mol
Exact Mass315.05
IUPAC Name2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide
SMILESCC(Sc1ncnc2sc(-c3ccccc3)cc12)C(N)=O
InChIInChI=1S/C15H13N3OS2/c1-9(13(16)19)20-14-11-7-12(10-5-3-2-4-6-10)21-15(11)18-8-17-14/h2-9H,1H3,(H2,16,19)
InChIKeyQUYQZOCMCIVIDA-UHFFFAOYSA-N
XLogP3.32
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide?
The IUPAC name of 2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide (CID 18076538) is 2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide.
What is the SMILES notation for 2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide?
The canonical SMILES for 2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide is CC(Sc1ncnc2sc(-c3ccccc3)cc12)C(N)=O.
What is the InChIKey of 2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide?
The InChIKey is QUYQZOCMCIVIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS2/c1-9(13(16)19)20-14-11-7-12(10-5-3-2-4-6-10)21-15(11)18-8-17-14/h2-9H,1H3,(H2,16,19).
What are the key properties of 2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide?
2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide has a molecular weight of 315.42 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide is sourced from PubChem (CID 18076538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).