N-(5-methyl-1,2-oxazol-3-yl)-2-pyrimidin-2-ylsulfanylacetamide

C10H10N4O2S — CID 580624

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-pyrimidin-2-ylsulfanylacetamide
SMILESCc1cc(NC(=O)CSc2ncccn2)no1
InChIInChI=1S/C10H10N4O2S/c1-7-5-8(14-16-7)13-9(15)6-17-10-11-3-2-4-12-10/h2-5H,6H2,1H3,(H,13,14,15)
InChIKeyOHLPTKJICQQOOF-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.50
Rot. Bonds4

About N-(5-methyl-1,2-oxazol-3-yl)-2-pyrimidin-2-ylsulfanylacetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-pyrimidin-2-ylsulfanylacetamide (PubChem CID 580624) has the molecular formula C10H10N4O2S and a molecular weight of 250.28 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-pyrimidin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-pyrimidin-2-ylsulfanylacetamide
PubChem CID580624
Molecular FormulaC10H10N4O2S
Molecular Weight250.28 g/mol
Exact Mass250.05
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-pyrimidin-2-ylsulfanylacetamide
SMILESCc1cc(NC(=O)CSc2ncccn2)no1
InChIInChI=1S/C10H10N4O2S/c1-7-5-8(14-16-7)13-9(15)6-17-10-11-3-2-4-12-10/h2-5H,6H2,1H3,(H,13,14,15)
InChIKeyOHLPTKJICQQOOF-UHFFFAOYSA-N
XLogP1.50
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-pyrimidin-2-ylsulfanylacetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-pyrimidin-2-ylsulfanylacetamide (CID 580624) is N-(5-methyl-1,2-oxazol-3-yl)-2-pyrimidin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-pyrimidin-2-ylsulfanylacetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-pyrimidin-2-ylsulfanylacetamide is Cc1cc(NC(=O)CSc2ncccn2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-pyrimidin-2-ylsulfanylacetamide?
The InChIKey is OHLPTKJICQQOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2S/c1-7-5-8(14-16-7)13-9(15)6-17-10-11-3-2-4-12-10/h2-5H,6H2,1H3,(H,13,14,15).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-pyrimidin-2-ylsulfanylacetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-pyrimidin-2-ylsulfanylacetamide has a molecular weight of 250.28 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-pyrimidin-2-ylsulfanylacetamide is sourced from PubChem (CID 580624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).