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

C14H18N4O2S — CID 784163

IUPAC(2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide
SMILESCC[C@H](Sc1nc(C)cc(C)n1)C(=O)Nc1cc(C)on1
InChIInChI=1S/C14H18N4O2S/c1-5-11(13(19)17-12-7-10(4)20-18-12)21-14-15-8(2)6-9(3)16-14/h6-7,11H,5H2,1-4H3,(H,17,18,19)/t11-/m0/s1
InChIKeyUDAKYXANTWJGDW-NSHDSACASA-N
MW306.39 g/mol
LogP2.90
Rot. Bonds5

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

(2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide (PubChem CID 784163) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is (2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide
PubChem CID784163
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name(2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide
SMILESCC[C@H](Sc1nc(C)cc(C)n1)C(=O)Nc1cc(C)on1
InChIInChI=1S/C14H18N4O2S/c1-5-11(13(19)17-12-7-10(4)20-18-12)21-14-15-8(2)6-9(3)16-14/h6-7,11H,5H2,1-4H3,(H,17,18,19)/t11-/m0/s1
InChIKeyUDAKYXANTWJGDW-NSHDSACASA-N
XLogP2.90
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The IUPAC name of (2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide (CID 784163) is (2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide.
What is the SMILES notation for (2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The canonical SMILES for (2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide is CC[C@H](Sc1nc(C)cc(C)n1)C(=O)Nc1cc(C)on1.
What is the InChIKey of (2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The InChIKey is UDAKYXANTWJGDW-NSHDSACASA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-5-11(13(19)17-12-7-10(4)20-18-12)21-14-15-8(2)6-9(3)16-14/h6-7,11H,5H2,1-4H3,(H,17,18,19)/t11-/m0/s1.
What are the key properties of (2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
(2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide has a molecular weight of 306.39 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide is sourced from PubChem (CID 784163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).