(3R)-3-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyloxolan-2-one

C16H12N2O2S2 — CID 41013550

IUPAC(3R)-3-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyloxolan-2-one
SMILESO=C1OCC[C@H]1Sc1ncnc2scc(-c3ccccc3)c12
InChIInChI=1S/C16H12N2O2S2/c19-16-12(6-7-20-16)22-15-13-11(10-4-2-1-3-5-10)8-21-14(13)17-9-18-15/h1-5,8-9,12H,6-7H2/t12-/m1/s1
InChIKeyWXRCSFKXVMUNCF-GFCCVEGCSA-N
MW328.42 g/mol
LogP3.77
Rot. Bonds3

About (3R)-3-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyloxolan-2-one

(3R)-3-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyloxolan-2-one (PubChem CID 41013550) has the molecular formula C16H12N2O2S2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (3R)-3-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyloxolan-2-one.

Molecular Properties

Compound Name(3R)-3-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyloxolan-2-one
PubChem CID41013550
Molecular FormulaC16H12N2O2S2
Molecular Weight328.42 g/mol
Exact Mass328.03
IUPAC Name(3R)-3-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyloxolan-2-one
SMILESO=C1OCC[C@H]1Sc1ncnc2scc(-c3ccccc3)c12
InChIInChI=1S/C16H12N2O2S2/c19-16-12(6-7-20-16)22-15-13-11(10-4-2-1-3-5-10)8-21-14(13)17-9-18-15/h1-5,8-9,12H,6-7H2/t12-/m1/s1
InChIKeyWXRCSFKXVMUNCF-GFCCVEGCSA-N
XLogP3.77
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-3-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]oxolan-2-one
CID 2304233
3-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)oxolan-2-one
CID 2999720
N-cyclopentyl-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 1154282
(3S)-3-thieno[3,2-d]pyrimidin-4-ylsulfanyloxolan-2-one
CID 34244436
4-iodo-5-phenylthieno[2,3-d]pyrimidine
CID 147258357
4-methyl-5-phenylthieno[2,3-d]pyrimidine
CID 118145924
4-(4-methylpiperidin-1-yl)-5-phenylthieno[2,3-d]pyrimidine
CID 675438
4-[(2-methylphenyl)methylsulfanyl]-5-phenylthieno[2,3-d]pyrimidine
CID 7674181
3-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyloxolan-2-one
CID 42897615
(2S)-1-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]piperidine-2-carboxamide
CID 9267463
1-(5-methylthiophen-2-yl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone
CID 18209240
N-[[(2S)-oxolan-2-yl]methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 733188

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyloxolan-2-one?
The IUPAC name of (3R)-3-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyloxolan-2-one (CID 41013550) is (3R)-3-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyloxolan-2-one.
What is the SMILES notation for (3R)-3-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyloxolan-2-one?
The canonical SMILES for (3R)-3-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyloxolan-2-one is O=C1OCC[C@H]1Sc1ncnc2scc(-c3ccccc3)c12.
What is the InChIKey of (3R)-3-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyloxolan-2-one?
The InChIKey is WXRCSFKXVMUNCF-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H12N2O2S2/c19-16-12(6-7-20-16)22-15-13-11(10-4-2-1-3-5-10)8-21-14(13)17-9-18-15/h1-5,8-9,12H,6-7H2/t12-/m1/s1.
What are the key properties of (3R)-3-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyloxolan-2-one?
(3R)-3-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyloxolan-2-one has a molecular weight of 328.42 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyloxolan-2-one is sourced from PubChem (CID 41013550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).