2-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C15H16N6O2S — CID 71802612

IUPAC2-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(C)n(-c2cc(SCC(=O)Nc3cc(C)on3)ncn2)n1
InChIInChI=1S/C15H16N6O2S/c1-9-4-10(2)21(19-9)13-6-15(17-8-16-13)24-7-14(22)18-12-5-11(3)23-20-12/h4-6,8H,7H2,1-3H3,(H,18,20,22)
InChIKeyLYMIXFGVXMDWJJ-UHFFFAOYSA-N
MW344.40 g/mol
LogP2.31
Rot. Bonds5

About 2-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 71802612) has the molecular formula C15H16N6O2S and a molecular weight of 344.40 g/mol. Its IUPAC name is 2-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID71802612
Molecular FormulaC15H16N6O2S
Molecular Weight344.40 g/mol
Exact Mass344.11
IUPAC Name2-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(C)n(-c2cc(SCC(=O)Nc3cc(C)on3)ncn2)n1
InChIInChI=1S/C15H16N6O2S/c1-9-4-10(2)21(19-9)13-6-15(17-8-16-13)24-7-14(22)18-12-5-11(3)23-20-12/h4-6,8H,7H2,1-3H3,(H,18,20,22)
InChIKeyLYMIXFGVXMDWJJ-UHFFFAOYSA-N
XLogP2.31
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 71802612) is 2-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(C)n(-c2cc(SCC(=O)Nc3cc(C)on3)ncn2)n1.
What is the InChIKey of 2-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is LYMIXFGVXMDWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2S/c1-9-4-10(2)21(19-9)13-6-15(17-8-16-13)24-7-14(22)18-12-5-11(3)23-20-12/h4-6,8H,7H2,1-3H3,(H,18,20,22).
What are the key properties of 2-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 344.40 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 71802612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).