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

C12H14N4OS2 — CID 47110332

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cc(C)nc(SCC(=O)Nc2ncc(C)s2)n1
InChIInChI=1S/C12H14N4OS2/c1-7-4-8(2)15-12(14-7)18-6-10(17)16-11-13-5-9(3)19-11/h4-5H,6H2,1-3H3,(H,13,16,17)
InChIKeyZWGPPDUPGRAXEU-UHFFFAOYSA-N
MW294.41 g/mol
LogP2.59
Rot. Bonds4

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

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 47110332) has the molecular formula C12H14N4OS2 and a molecular weight of 294.41 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID47110332
Molecular FormulaC12H14N4OS2
Molecular Weight294.41 g/mol
Exact Mass294.06
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cc(C)nc(SCC(=O)Nc2ncc(C)s2)n1
InChIInChI=1S/C12H14N4OS2/c1-7-4-8(2)15-12(14-7)18-6-10(17)16-11-13-5-9(3)19-11/h4-5H,6H2,1-3H3,(H,13,16,17)
InChIKeyZWGPPDUPGRAXEU-UHFFFAOYSA-N
XLogP2.59
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 52.59
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-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide (CID 47110332) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide is Cc1cc(C)nc(SCC(=O)Nc2ncc(C)s2)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is ZWGPPDUPGRAXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS2/c1-7-4-8(2)15-12(14-7)18-6-10(17)16-11-13-5-9(3)19-11/h4-5H,6H2,1-3H3,(H,13,16,17).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 294.41 g/mol, XLogP of 2.59, 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-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 47110332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).