(3-fluorophenyl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate

C15H11FN2O2S2 — CID 7735679

IUPAC(3-fluorophenyl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate
SMILESO=C(CSc1ncnc2sccc12)OCc1cccc(F)c1
InChIInChI=1S/C15H11FN2O2S2/c16-11-3-1-2-10(6-11)7-20-13(19)8-22-15-12-4-5-21-14(12)17-9-18-15/h1-6,9H,7-8H2
InChIKeyJDFXWDSIOABSKF-UHFFFAOYSA-N
MW334.40 g/mol
LogP3.67
Rot. Bonds5

About (3-fluorophenyl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate

(3-fluorophenyl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate (PubChem CID 7735679) has the molecular formula C15H11FN2O2S2 and a molecular weight of 334.40 g/mol. Its IUPAC name is (3-fluorophenyl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate.

Molecular Properties

Compound Name(3-fluorophenyl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate
PubChem CID7735679
Molecular FormulaC15H11FN2O2S2
Molecular Weight334.40 g/mol
Exact Mass334.02
IUPAC Name(3-fluorophenyl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate
SMILESO=C(CSc1ncnc2sccc12)OCc1cccc(F)c1
InChIInChI=1S/C15H11FN2O2S2/c16-11-3-1-2-10(6-11)7-20-13(19)8-22-15-12-4-5-21-14(12)17-9-18-15/h1-6,9H,7-8H2
InChIKeyJDFXWDSIOABSKF-UHFFFAOYSA-N
XLogP3.67
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate?
The IUPAC name of (3-fluorophenyl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate (CID 7735679) is (3-fluorophenyl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate.
What is the SMILES notation for (3-fluorophenyl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate?
The canonical SMILES for (3-fluorophenyl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate is O=C(CSc1ncnc2sccc12)OCc1cccc(F)c1.
What is the InChIKey of (3-fluorophenyl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate?
The InChIKey is JDFXWDSIOABSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2S2/c16-11-3-1-2-10(6-11)7-20-13(19)8-22-15-12-4-5-21-14(12)17-9-18-15/h1-6,9H,7-8H2.
What are the key properties of (3-fluorophenyl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate?
(3-fluorophenyl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate has a molecular weight of 334.40 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate is sourced from PubChem (CID 7735679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).