5-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3-oxazolidin-2-one

C16H13N3O2S2 — CID 42896643

IUPAC5-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3-oxazolidin-2-one
SMILESO=C1NCC(CSc2ncnc3sc(-c4ccccc4)cc23)O1
InChIInChI=1S/C16H13N3O2S2/c20-16-17-7-11(21-16)8-22-14-12-6-13(10-4-2-1-3-5-10)23-15(12)19-9-18-14/h1-6,9,11H,7-8H2,(H,17,20)
InChIKeyGEAXIWFIFPCAKB-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.56
Rot. Bonds4

About 5-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3-oxazolidin-2-one

5-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3-oxazolidin-2-one (PubChem CID 42896643) has the molecular formula C16H13N3O2S2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 5-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3-oxazolidin-2-one
PubChem CID42896643
Molecular FormulaC16H13N3O2S2
Molecular Weight343.43 g/mol
Exact Mass343.04
IUPAC Name5-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3-oxazolidin-2-one
SMILESO=C1NCC(CSc2ncnc3sc(-c4ccccc4)cc23)O1
InChIInChI=1S/C16H13N3O2S2/c20-16-17-7-11(21-16)8-22-14-12-6-13(10-4-2-1-3-5-10)23-15(12)19-9-18-14/h1-6,9,11H,7-8H2,(H,17,20)
InChIKeyGEAXIWFIFPCAKB-UHFFFAOYSA-N
XLogP3.56
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3-oxazolidin-2-one (CID 42896643) is 5-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3-oxazolidin-2-one is O=C1NCC(CSc2ncnc3sc(-c4ccccc4)cc23)O1.
What is the InChIKey of 5-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3-oxazolidin-2-one?
The InChIKey is GEAXIWFIFPCAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2S2/c20-16-17-7-11(21-16)8-22-14-12-6-13(10-4-2-1-3-5-10)23-15(12)19-9-18-14/h1-6,9,11H,7-8H2,(H,17,20).
What are the key properties of 5-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3-oxazolidin-2-one?
5-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3-oxazolidin-2-one has a molecular weight of 343.43 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 42896643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).