(2R)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylcyclopentan-1-one

C17H14N2OS2 — CID 25362253

IUPAC(2R)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylcyclopentan-1-one
SMILESO=C1CCC[C@H]1Sc1ncnc2sc(-c3ccccc3)cc12
InChIInChI=1S/C17H14N2OS2/c20-13-7-4-8-14(13)21-16-12-9-15(11-5-2-1-3-6-11)22-17(12)19-10-18-16/h1-3,5-6,9-10,14H,4,7-8H2/t14-/m1/s1
InChIKeyAUHXPPGZDZVCFN-CQSZACIVSA-N
MW326.45 g/mol
LogP4.57
Rot. Bonds3

About (2R)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylcyclopentan-1-one

(2R)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylcyclopentan-1-one (PubChem CID 25362253) has the molecular formula C17H14N2OS2 and a molecular weight of 326.45 g/mol. Its IUPAC name is (2R)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylcyclopentan-1-one.

Molecular Properties

Compound Name(2R)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylcyclopentan-1-one
PubChem CID25362253
Molecular FormulaC17H14N2OS2
Molecular Weight326.45 g/mol
Exact Mass326.05
IUPAC Name(2R)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylcyclopentan-1-one
SMILESO=C1CCC[C@H]1Sc1ncnc2sc(-c3ccccc3)cc12
InChIInChI=1S/C17H14N2OS2/c20-13-7-4-8-14(13)21-16-12-9-15(11-5-2-1-3-6-11)22-17(12)19-10-18-16/h1-3,5-6,9-10,14H,4,7-8H2/t14-/m1/s1
InChIKeyAUHXPPGZDZVCFN-CQSZACIVSA-N
XLogP4.57
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylcyclopentan-1-one?
The IUPAC name of (2R)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylcyclopentan-1-one (CID 25362253) is (2R)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylcyclopentan-1-one.
What is the SMILES notation for (2R)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylcyclopentan-1-one?
The canonical SMILES for (2R)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylcyclopentan-1-one is O=C1CCC[C@H]1Sc1ncnc2sc(-c3ccccc3)cc12.
What is the InChIKey of (2R)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylcyclopentan-1-one?
The InChIKey is AUHXPPGZDZVCFN-CQSZACIVSA-N. The full InChI is InChI=1S/C17H14N2OS2/c20-13-7-4-8-14(13)21-16-12-9-15(11-5-2-1-3-6-11)22-17(12)19-10-18-16/h1-3,5-6,9-10,14H,4,7-8H2/t14-/m1/s1.
What are the key properties of (2R)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylcyclopentan-1-one?
(2R)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylcyclopentan-1-one has a molecular weight of 326.45 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylcyclopentan-1-one is sourced from PubChem (CID 25362253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).