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

C13H16N4OS2 — CID 956543

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cc(C)nc(SCC(=O)Nc2nc(C)c(C)s2)n1
InChIInChI=1S/C13H16N4OS2/c1-7-5-8(2)15-12(14-7)19-6-11(18)17-13-16-9(3)10(4)20-13/h5H,6H2,1-4H3,(H,16,17,18)
InChIKeyDAZIUHFRQKDDRJ-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.90
Rot. Bonds4

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

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide (PubChem CID 956543) has the molecular formula C13H16N4OS2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
PubChem CID956543
Molecular FormulaC13H16N4OS2
Molecular Weight308.43 g/mol
Exact Mass308.08
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cc(C)nc(SCC(=O)Nc2nc(C)c(C)s2)n1
InChIInChI=1S/C13H16N4OS2/c1-7-5-8(2)15-12(14-7)19-6-11(18)17-13-16-9(3)10(4)20-13/h5H,6H2,1-4H3,(H,16,17,18)
InChIKeyDAZIUHFRQKDDRJ-UHFFFAOYSA-N
XLogP2.90
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.90
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-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide (CID 956543) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide is Cc1cc(C)nc(SCC(=O)Nc2nc(C)c(C)s2)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is DAZIUHFRQKDDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS2/c1-7-5-8(2)15-12(14-7)19-6-11(18)17-13-16-9(3)10(4)20-13/h5H,6H2,1-4H3,(H,16,17,18).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 308.43 g/mol, XLogP of 2.90, 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-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 956543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).