1-[4-(difluoromethoxy)phenyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone

C15H10F2N2O2S2 — CID 34245392

IUPAC1-[4-(difluoromethoxy)phenyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone
SMILESO=C(CSc1ncnc2ccsc12)c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H10F2N2O2S2/c16-15(17)21-10-3-1-9(2-4-10)12(20)7-23-14-13-11(5-6-22-13)18-8-19-14/h1-6,8,15H,7H2
InChIKeyJFUKHRBKXZSNBX-UHFFFAOYSA-N
MW352.39 g/mol
LogP4.27
Rot. Bonds6

About 1-[4-(difluoromethoxy)phenyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone

1-[4-(difluoromethoxy)phenyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone (PubChem CID 34245392) has the molecular formula C15H10F2N2O2S2 and a molecular weight of 352.39 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone
PubChem CID34245392
Molecular FormulaC15H10F2N2O2S2
Molecular Weight352.39 g/mol
Exact Mass352.02
IUPAC Name1-[4-(difluoromethoxy)phenyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone
SMILESO=C(CSc1ncnc2ccsc12)c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H10F2N2O2S2/c16-15(17)21-10-3-1-9(2-4-10)12(20)7-23-14-13-11(5-6-22-13)18-8-19-14/h1-6,8,15H,7H2
InChIKeyJFUKHRBKXZSNBX-UHFFFAOYSA-N
XLogP4.27
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methylsulfonylphenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone
CID 18123886
[4-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)phenyl]urea
CID 34111095
2-methyl-N-[4-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)phenyl]propanamide
CID 34253042
1-(3,4-dimethylphenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone
CID 18123998
methyl 2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetate
CID 2808870
1-(1,3-benzodioxol-5-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone
CID 51280422
1-[4-(difluoromethoxy)phenyl]-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone
CID 1228650
1-[4-(difluoromethoxy)phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone
CID 78766338
N-(3-methylbutan-2-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
CID 46661730
N-(4-fluorophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
CID 34245034
1-[4-(difluoromethoxy)phenyl]-2-(4-ethoxyphenyl)sulfanylethanone
CID 55463619
N-[2-(4-methoxyphenyl)ethyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
CID 46661845

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone (CID 34245392) is 1-[4-(difluoromethoxy)phenyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone is O=C(CSc1ncnc2ccsc12)c1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone?
The InChIKey is JFUKHRBKXZSNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O2S2/c16-15(17)21-10-3-1-9(2-4-10)12(20)7-23-14-13-11(5-6-22-13)18-8-19-14/h1-6,8,15H,7H2.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone?
1-[4-(difluoromethoxy)phenyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone has a molecular weight of 352.39 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone is sourced from PubChem (CID 34245392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).