2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanone

C15H12FN3O2S2 — CID 39012999

IUPAC2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanone
SMILESCOc1ccc(F)cc1C(=O)CSc1nc(N)c2ccsc2n1
InChIInChI=1S/C15H12FN3O2S2/c1-21-12-3-2-8(16)6-10(12)11(20)7-23-15-18-13(17)9-4-5-22-14(9)19-15/h2-6H,7H2,1H3,(H2,17,18,19)
InChIKeyFSUGPTKGVLUOPG-UHFFFAOYSA-N
MW349.41 g/mol
LogP3.40
Rot. Bonds5

About 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanone

2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanone (PubChem CID 39012999) has the molecular formula C15H12FN3O2S2 and a molecular weight of 349.41 g/mol. Its IUPAC name is 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanone
PubChem CID39012999
Molecular FormulaC15H12FN3O2S2
Molecular Weight349.41 g/mol
Exact Mass349.04
IUPAC Name2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanone
SMILESCOc1ccc(F)cc1C(=O)CSc1nc(N)c2ccsc2n1
InChIInChI=1S/C15H12FN3O2S2/c1-21-12-3-2-8(16)6-10(12)11(20)7-23-15-18-13(17)9-4-5-22-14(9)19-15/h2-6H,7H2,1H3,(H2,17,18,19)
InChIKeyFSUGPTKGVLUOPG-UHFFFAOYSA-N
XLogP3.40
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 7704457
1-(5-fluoro-2-methoxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanone
CID 60971964
2-[(2-fluoro-3-methoxyphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine
CID 104792341
2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-methoxyethyl)acetamide
CID 60699011
2-(2,4-difluorophenyl)sulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 43224824
1-(5-fluoro-2-methoxyphenyl)-2-(4-methylphenyl)sulfanylethanone
CID 43426355
2-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]sulfanyl-3-methylthieno[2,3-d]pyrimidin-4-one
CID 32795620
(4-amino-2-ethylsulfanylpyrimidin-5-yl)-(5-fluoro-2-methoxyphenyl)methanone
CID 11722738
2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(azetidin-1-yl)ethanone
CID 60733654
2-amino-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 79002350
2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-pyrimidin-2-ylacetamide
CID 60699189
2-[[5,6-bis(3-methylthiophen-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-1-(5-chloro-2-methoxyphenyl)ethanone
CID 6492469

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanone?
The IUPAC name of 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanone (CID 39012999) is 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanone?
The canonical SMILES for 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanone is COc1ccc(F)cc1C(=O)CSc1nc(N)c2ccsc2n1.
What is the InChIKey of 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanone?
The InChIKey is FSUGPTKGVLUOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2S2/c1-21-12-3-2-8(16)6-10(12)11(20)7-23-15-18-13(17)9-4-5-22-14(9)19-15/h2-6H,7H2,1H3,(H2,17,18,19).
What are the key properties of 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanone?
2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanone has a molecular weight of 349.41 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanone is sourced from PubChem (CID 39012999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).