2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C13H16N4O2S — CID 23743258

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(C)nc(SC(C)C(=O)Nc2cc(C)on2)n1
InChIInChI=1S/C13H16N4O2S/c1-7-5-8(2)15-13(14-7)20-10(4)12(18)16-11-6-9(3)19-17-11/h5-6,10H,1-4H3,(H,16,17,18)
InChIKeyLOBUFMUOLLPYNK-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.51
Rot. Bonds4

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 23743258) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID23743258
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(C)nc(SC(C)C(=O)Nc2cc(C)on2)n1
InChIInChI=1S/C13H16N4O2S/c1-7-5-8(2)15-13(14-7)20-10(4)12(18)16-11-6-9(3)19-17-11/h5-6,10H,1-4H3,(H,16,17,18)
InChIKeyLOBUFMUOLLPYNK-UHFFFAOYSA-N
XLogP2.51
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 8985952
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 8936856
N-(5-methyl-1,2-oxazol-3-yl)-2-phenylsulfanylpropanamide
CID 23914590
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 8554589
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]propanamide
CID 95573536
2-(2-aminophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 71669849
(2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-phenylpropanamide
CID 976741
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 40683418
(2S)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 41323684
(2R)-N-(4-chlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide
CID 975208
(2R)-2-benzylsulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 9459484
N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 78667507

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 23743258) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1cc(C)nc(SC(C)C(=O)Nc2cc(C)on2)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is LOBUFMUOLLPYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-7-5-8(2)15-13(14-7)20-10(4)12(18)16-11-6-9(3)19-17-11/h5-6,10H,1-4H3,(H,16,17,18).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 292.36 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 23743258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).