N-(2,3-dihydro-1H-inden-5-yl)-2-pyrimidin-2-ylsulfanylacetamide

C15H15N3OS — CID 2531742

IUPACN-(2,3-dihydro-1H-inden-5-yl)-2-pyrimidin-2-ylsulfanylacetamide
SMILESO=C(CSc1ncccn1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C15H15N3OS/c19-14(10-20-15-16-7-2-8-17-15)18-13-6-5-11-3-1-4-12(11)9-13/h2,5-9H,1,3-4,10H2,(H,18,19)
InChIKeyUIADAZZLDCDWQY-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.70
Rot. Bonds4

About N-(2,3-dihydro-1H-inden-5-yl)-2-pyrimidin-2-ylsulfanylacetamide

N-(2,3-dihydro-1H-inden-5-yl)-2-pyrimidin-2-ylsulfanylacetamide (PubChem CID 2531742) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-2-pyrimidin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-2-pyrimidin-2-ylsulfanylacetamide
PubChem CID2531742
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-2-pyrimidin-2-ylsulfanylacetamide
SMILESO=C(CSc1ncccn1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C15H15N3OS/c19-14(10-20-15-16-7-2-8-17-15)18-13-6-5-11-3-1-4-12(11)9-13/h2,5-9H,1,3-4,10H2,(H,18,19)
InChIKeyUIADAZZLDCDWQY-UHFFFAOYSA-N
XLogP2.70
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-pyrimidin-2-ylsulfanylacetamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-pyrimidin-2-ylsulfanylacetamide (CID 2531742) is N-(2,3-dihydro-1H-inden-5-yl)-2-pyrimidin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-2-pyrimidin-2-ylsulfanylacetamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-2-pyrimidin-2-ylsulfanylacetamide is O=C(CSc1ncccn1)Nc1ccc2c(c1)CCC2.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-2-pyrimidin-2-ylsulfanylacetamide?
The InChIKey is UIADAZZLDCDWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c19-14(10-20-15-16-7-2-8-17-15)18-13-6-5-11-3-1-4-12(11)9-13/h2,5-9H,1,3-4,10H2,(H,18,19).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-2-pyrimidin-2-ylsulfanylacetamide?
N-(2,3-dihydro-1H-inden-5-yl)-2-pyrimidin-2-ylsulfanylacetamide has a molecular weight of 285.37 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-2-pyrimidin-2-ylsulfanylacetamide is sourced from PubChem (CID 2531742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).