2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

C16H15N5OS2 — CID 1321127

IUPAC2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1cc(-c2ccccc2)nc(SCC(=O)Nc2nnc(C)s2)n1
InChIInChI=1S/C16H15N5OS2/c1-10-8-13(12-6-4-3-5-7-12)18-15(17-10)23-9-14(22)19-16-21-20-11(2)24-16/h3-8H,9H2,1-2H3,(H,19,21,22)
InChIKeyYIGKDEYYXAQZAA-UHFFFAOYSA-N
MW357.46 g/mol
LogP3.34
Rot. Bonds5

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

2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 1321127) has the molecular formula C16H15N5OS2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID1321127
Molecular FormulaC16H15N5OS2
Molecular Weight357.46 g/mol
Exact Mass357.07
IUPAC Name2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1cc(-c2ccccc2)nc(SCC(=O)Nc2nnc(C)s2)n1
InChIInChI=1S/C16H15N5OS2/c1-10-8-13(12-6-4-3-5-7-12)18-15(17-10)23-9-14(22)19-16-21-20-11(2)24-16/h3-8H,9H2,1-2H3,(H,19,21,22)
InChIKeyYIGKDEYYXAQZAA-UHFFFAOYSA-N
XLogP3.34
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (CID 1321127) is 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is Cc1cc(-c2ccccc2)nc(SCC(=O)Nc2nnc(C)s2)n1.
What is the InChIKey of 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is YIGKDEYYXAQZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5OS2/c1-10-8-13(12-6-4-3-5-7-12)18-15(17-10)23-9-14(22)19-16-21-20-11(2)24-16/h3-8H,9H2,1-2H3,(H,19,21,22).
What are the key properties of 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 357.46 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 1321127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).