2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-methyl-4-oxo-1,3-thiazol-2-yl)acetamide

C12H14N4O2S2 — CID 2976325

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-methyl-4-oxo-1,3-thiazol-2-yl)acetamide
SMILESCc1cc(C)nc(SCC(=O)NC2=NC(=O)C(C)S2)n1
InChIInChI=1S/C12H14N4O2S2/c1-6-4-7(2)14-11(13-6)19-5-9(17)15-12-16-10(18)8(3)20-12/h4,8H,5H2,1-3H3,(H,15,16,17,18)
InChIKeyNNLZKGVCPICRSE-UHFFFAOYSA-N
MW310.40 g/mol
LogP1.32
Rot. Bonds3

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-methyl-4-oxo-1,3-thiazol-2-yl)acetamide

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-methyl-4-oxo-1,3-thiazol-2-yl)acetamide (PubChem CID 2976325) has the molecular formula C12H14N4O2S2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-methyl-4-oxo-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-methyl-4-oxo-1,3-thiazol-2-yl)acetamide
PubChem CID2976325
Molecular FormulaC12H14N4O2S2
Molecular Weight310.40 g/mol
Exact Mass310.06
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-methyl-4-oxo-1,3-thiazol-2-yl)acetamide
SMILESCc1cc(C)nc(SCC(=O)NC2=NC(=O)C(C)S2)n1
InChIInChI=1S/C12H14N4O2S2/c1-6-4-7(2)14-11(13-6)19-5-9(17)15-12-16-10(18)8(3)20-12/h4,8H,5H2,1-3H3,(H,15,16,17,18)
InChIKeyNNLZKGVCPICRSE-UHFFFAOYSA-N
XLogP1.32
TPSA84.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-methyl-4-oxo-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-methyl-4-oxo-1,3-thiazol-2-yl)acetamide (CID 2976325) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-methyl-4-oxo-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-methyl-4-oxo-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-methyl-4-oxo-1,3-thiazol-2-yl)acetamide is Cc1cc(C)nc(SCC(=O)NC2=NC(=O)C(C)S2)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-methyl-4-oxo-1,3-thiazol-2-yl)acetamide?
The InChIKey is NNLZKGVCPICRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S2/c1-6-4-7(2)14-11(13-6)19-5-9(17)15-12-16-10(18)8(3)20-12/h4,8H,5H2,1-3H3,(H,15,16,17,18).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-methyl-4-oxo-1,3-thiazol-2-yl)acetamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-methyl-4-oxo-1,3-thiazol-2-yl)acetamide has a molecular weight of 310.40 g/mol, XLogP of 1.32, 3 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-4-oxo-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 2976325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).