2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide

C11H10F3N5OS2 — CID 3518449

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCc1cc(C)nc(SCC(=O)Nc2nnc(C(F)(F)F)s2)n1
InChIInChI=1S/C11H10F3N5OS2/c1-5-3-6(2)16-9(15-5)21-4-7(20)17-10-19-18-8(22-10)11(12,13)14/h3H,4H2,1-2H3,(H,17,19,20)
InChIKeyFWQUIDBAEAZIFF-UHFFFAOYSA-N
MW349.36 g/mol
LogP2.69
Rot. Bonds4

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 3518449) has the molecular formula C11H10F3N5OS2 and a molecular weight of 349.36 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID3518449
Molecular FormulaC11H10F3N5OS2
Molecular Weight349.36 g/mol
Exact Mass349.03
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCc1cc(C)nc(SCC(=O)Nc2nnc(C(F)(F)F)s2)n1
InChIInChI=1S/C11H10F3N5OS2/c1-5-3-6(2)16-9(15-5)21-4-7(20)17-10-19-18-8(22-10)11(12,13)14/h3H,4H2,1-2H3,(H,17,19,20)
InChIKeyFWQUIDBAEAZIFF-UHFFFAOYSA-N
XLogP2.69
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 3518449) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide is Cc1cc(C)nc(SCC(=O)Nc2nnc(C(F)(F)F)s2)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is FWQUIDBAEAZIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N5OS2/c1-5-3-6(2)16-9(15-5)21-4-7(20)17-10-19-18-8(22-10)11(12,13)14/h3H,4H2,1-2H3,(H,17,19,20).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 349.36 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 3518449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).