2,2,2-trifluoro-N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]acetamide

C12H10F3N3OS — CID 935194

IUPAC2,2,2-trifluoro-N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]acetamide
SMILESCc1ccc(C2=NN=C(NC(=O)C(F)(F)F)SC2)cc1
InChIInChI=1S/C12H10F3N3OS/c1-7-2-4-8(5-3-7)9-6-20-11(18-17-9)16-10(19)12(13,14)15/h2-5H,6H2,1H3,(H,16,18,19)
InChIKeyYAWKVLMARDJGDW-UHFFFAOYSA-N
MW301.29 g/mol
LogP2.48
Rot. Bonds1

About 2,2,2-trifluoro-N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]acetamide

2,2,2-trifluoro-N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]acetamide (PubChem CID 935194) has the molecular formula C12H10F3N3OS and a molecular weight of 301.29 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]acetamide
PubChem CID935194
Molecular FormulaC12H10F3N3OS
Molecular Weight301.29 g/mol
Exact Mass301.05
IUPAC Name2,2,2-trifluoro-N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]acetamide
SMILESCc1ccc(C2=NN=C(NC(=O)C(F)(F)F)SC2)cc1
InChIInChI=1S/C12H10F3N3OS/c1-7-2-4-8(5-3-7)9-6-20-11(18-17-9)16-10(19)12(13,14)15/h2-5H,6H2,1H3,(H,16,18,19)
InChIKeyYAWKVLMARDJGDW-UHFFFAOYSA-N
XLogP2.48
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.29
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]acetamide (CID 935194) is 2,2,2-trifluoro-N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]acetamide is Cc1ccc(C2=NN=C(NC(=O)C(F)(F)F)SC2)cc1.
What is the InChIKey of 2,2,2-trifluoro-N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]acetamide?
The InChIKey is YAWKVLMARDJGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3OS/c1-7-2-4-8(5-3-7)9-6-20-11(18-17-9)16-10(19)12(13,14)15/h2-5H,6H2,1H3,(H,16,18,19).
What are the key properties of 2,2,2-trifluoro-N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]acetamide?
2,2,2-trifluoro-N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]acetamide has a molecular weight of 301.29 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]acetamide is sourced from PubChem (CID 935194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).