2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(4-methoxyphenyl)propan-1-one

C16H15N3O2S2 — CID 42891317

IUPAC2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(C(=O)C(C)Sc2nc(N)c3ccsc3n2)cc1
InChIInChI=1S/C16H15N3O2S2/c1-9(13(20)10-3-5-11(21-2)6-4-10)23-16-18-14(17)12-7-8-22-15(12)19-16/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyUVSPCZMWBJLDFQ-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.65
Rot. Bonds5

About 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(4-methoxyphenyl)propan-1-one

2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(4-methoxyphenyl)propan-1-one (PubChem CID 42891317) has the molecular formula C16H15N3O2S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(4-methoxyphenyl)propan-1-one
PubChem CID42891317
Molecular FormulaC16H15N3O2S2
Molecular Weight345.45 g/mol
Exact Mass345.06
IUPAC Name2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(C(=O)C(C)Sc2nc(N)c3ccsc3n2)cc1
InChIInChI=1S/C16H15N3O2S2/c1-9(13(20)10-3-5-11(21-2)6-4-10)23-16-18-14(17)12-7-8-22-15(12)19-16/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyUVSPCZMWBJLDFQ-UHFFFAOYSA-N
XLogP3.65
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 5-[2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanylpropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 24528306
(2R)-2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide
CID 41236618
ethyl 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanylbutanoate
CID 64662166
2-pentan-2-ylsulfanylthieno[2,3-d]pyrimidin-4-amine
CID 103727732
(2R)-2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 41236615
(2S)-1-(4-methoxyphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-one
CID 51682190
2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 24528300
(2R)-1-(4-methoxyphenyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-one
CID 7820557
2-(2,5-difluorophenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-one
CID 43224881
2-[(4-methoxyphenyl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine
CID 62190157
(2S)-2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1-(4-methoxyphenyl)propan-1-one
CID 7257510
2-[(2-fluoro-3-methoxyphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine
CID 104792341

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(4-methoxyphenyl)propan-1-one?
The IUPAC name of 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(4-methoxyphenyl)propan-1-one (CID 42891317) is 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(4-methoxyphenyl)propan-1-one.
What is the SMILES notation for 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(4-methoxyphenyl)propan-1-one?
The canonical SMILES for 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(4-methoxyphenyl)propan-1-one is COc1ccc(C(=O)C(C)Sc2nc(N)c3ccsc3n2)cc1.
What is the InChIKey of 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(4-methoxyphenyl)propan-1-one?
The InChIKey is UVSPCZMWBJLDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S2/c1-9(13(20)10-3-5-11(21-2)6-4-10)23-16-18-14(17)12-7-8-22-15(12)19-16/h3-9H,1-2H3,(H2,17,18,19).
What are the key properties of 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(4-methoxyphenyl)propan-1-one?
2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(4-methoxyphenyl)propan-1-one has a molecular weight of 345.45 g/mol, XLogP of 3.65, 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-(4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 42891317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).