(2R)-1-(3,4-difluorophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropan-1-one

C15H10F2N2OS2 — CID 7889332

IUPAC(2R)-1-(3,4-difluorophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropan-1-one
SMILESC[C@@H](Sc1ncnc2sccc12)C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H10F2N2OS2/c1-8(13(20)9-2-3-11(16)12(17)6-9)22-15-10-4-5-21-14(10)18-7-19-15/h2-8H,1H3/t8-/m1/s1
InChIKeyXIKYTQLEOUCCRK-MRVPVSSYSA-N
MW336.39 g/mol
LogP4.33
Rot. Bonds4

About (2R)-1-(3,4-difluorophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropan-1-one

(2R)-1-(3,4-difluorophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropan-1-one (PubChem CID 7889332) has the molecular formula C15H10F2N2OS2 and a molecular weight of 336.39 g/mol. Its IUPAC name is (2R)-1-(3,4-difluorophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropan-1-one.

Molecular Properties

Compound Name(2R)-1-(3,4-difluorophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropan-1-one
PubChem CID7889332
Molecular FormulaC15H10F2N2OS2
Molecular Weight336.39 g/mol
Exact Mass336.02
IUPAC Name(2R)-1-(3,4-difluorophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropan-1-one
SMILESC[C@@H](Sc1ncnc2sccc12)C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H10F2N2OS2/c1-8(13(20)9-2-3-11(16)12(17)6-9)22-15-10-4-5-21-14(10)18-7-19-15/h2-8H,1H3/t8-/m1/s1
InChIKeyXIKYTQLEOUCCRK-MRVPVSSYSA-N
XLogP4.33
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(4-fluoro-3-nitrophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide
CID 7889386
(2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide
CID 8522992
(2R)-N-cyclopropyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide
CID 7889375
2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropan-1-amine
CID 82146821
(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropan-1-one
CID 7889429
1-(3,4-difluorophenyl)-2-(4-fluorophenyl)sulfanylpropan-1-one
CID 43218364
2-[(5-bromo-2-pyridinyl)sulfanyl]-1-(3,4-difluorophenyl)propan-1-one
CID 61341373
(2S)-N-(2-methoxyphenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide
CID 2633299
(2S)-N-(2-cyanophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide
CID 7889368
1-(4-fluorophenyl)-2-quinazolin-4-ylsulfanylpropan-1-one
CID 78761229
(2R)-N-[(1R,2R)-2-methylcyclohexyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide
CID 7889406
1-(3,4-difluorophenyl)-2-(4-methylphenyl)sulfanylpropan-1-one
CID 43218651

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3,4-difluorophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropan-1-one?
The IUPAC name of (2R)-1-(3,4-difluorophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropan-1-one (CID 7889332) is (2R)-1-(3,4-difluorophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropan-1-one.
What is the SMILES notation for (2R)-1-(3,4-difluorophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropan-1-one?
The canonical SMILES for (2R)-1-(3,4-difluorophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropan-1-one is C[C@@H](Sc1ncnc2sccc12)C(=O)c1ccc(F)c(F)c1.
What is the InChIKey of (2R)-1-(3,4-difluorophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropan-1-one?
The InChIKey is XIKYTQLEOUCCRK-MRVPVSSYSA-N. The full InChI is InChI=1S/C15H10F2N2OS2/c1-8(13(20)9-2-3-11(16)12(17)6-9)22-15-10-4-5-21-14(10)18-7-19-15/h2-8H,1H3/t8-/m1/s1.
What are the key properties of (2R)-1-(3,4-difluorophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropan-1-one?
(2R)-1-(3,4-difluorophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropan-1-one has a molecular weight of 336.39 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3,4-difluorophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropan-1-one is sourced from PubChem (CID 7889332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).