1-(2,3-dihydroindol-1-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropan-1-one

C17H15N3OS2 — CID 18123827

IUPAC1-(2,3-dihydroindol-1-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropan-1-one
SMILESCC(Sc1ncnc2ccsc12)C(=O)N1CCc2ccccc21
InChIInChI=1S/C17H15N3OS2/c1-11(23-16-15-13(7-9-22-15)18-10-19-16)17(21)20-8-6-12-4-2-3-5-14(12)20/h2-5,7,9-11H,6,8H2,1H3
InChIKeyFYPUBKXAFMDHLB-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.76
Rot. Bonds3

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

1-(2,3-dihydroindol-1-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropan-1-one (PubChem CID 18123827) has the molecular formula C17H15N3OS2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropan-1-one
PubChem CID18123827
Molecular FormulaC17H15N3OS2
Molecular Weight341.46 g/mol
Exact Mass341.07
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropan-1-one
SMILESCC(Sc1ncnc2ccsc12)C(=O)N1CCc2ccccc21
InChIInChI=1S/C17H15N3OS2/c1-11(23-16-15-13(7-9-22-15)18-10-19-16)17(21)20-8-6-12-4-2-3-5-14(12)20/h2-5,7,9-11H,6,8H2,1H3
InChIKeyFYPUBKXAFMDHLB-UHFFFAOYSA-N
XLogP3.76
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2,3-dihydroindol-1-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropan-1-one with MolForge

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Related Compounds

1-(4-phenylpiperazin-1-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropan-1-one
CID 51280487
1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone
CID 24669189
2-(1,3-benzothiazol-2-ylsulfanyl)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 4819296
(2R)-1-(2,3-dihydroindol-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-one
CID 7981761
(2S)-1-(2,3-dihydroindol-1-yl)-2-quinolin-2-ylsulfanylpropan-1-one
CID 7755063
(2S)-2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 7300208
(2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 7415781
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 4819311
(2S)-2-(4-aminophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 51524524
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropan-1-one
CID 16507663
2-amino-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 20806588
(2R)-N-(phenylcarbamoyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide
CID 41045217

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropan-1-one?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropan-1-one (CID 18123827) is 1-(2,3-dihydroindol-1-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropan-1-one.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropan-1-one?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropan-1-one is CC(Sc1ncnc2ccsc12)C(=O)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropan-1-one?
The InChIKey is FYPUBKXAFMDHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS2/c1-11(23-16-15-13(7-9-22-15)18-10-19-16)17(21)20-8-6-12-4-2-3-5-14(12)20/h2-5,7,9-11H,6,8H2,1H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropan-1-one?
1-(2,3-dihydroindol-1-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropan-1-one has a molecular weight of 341.46 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropan-1-one is sourced from PubChem (CID 18123827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).