2,2,2-trifluoro-N-methyl-N-(thiadiazol-5-ylmethyl)acetamide

C6H6F3N3OS — CID 130871566

IUPAC2,2,2-trifluoro-N-methyl-N-(thiadiazol-5-ylmethyl)acetamide
SMILESCN(Cc1cnns1)C(=O)C(F)(F)F
InChIInChI=1S/C6H6F3N3OS/c1-12(5(13)6(7,8)9)3-4-2-10-11-14-4/h2H,3H2,1H3
InChIKeyBXZIAZXJZMIZSY-UHFFFAOYSA-N
MW225.19 g/mol
LogP1.06
Rot. Bonds2

About 2,2,2-trifluoro-N-methyl-N-(thiadiazol-5-ylmethyl)acetamide

2,2,2-trifluoro-N-methyl-N-(thiadiazol-5-ylmethyl)acetamide (PubChem CID 130871566) has the molecular formula C6H6F3N3OS and a molecular weight of 225.19 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-(thiadiazol-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-(thiadiazol-5-ylmethyl)acetamide
PubChem CID130871566
Molecular FormulaC6H6F3N3OS
Molecular Weight225.19 g/mol
Exact Mass225.02
IUPAC Name2,2,2-trifluoro-N-methyl-N-(thiadiazol-5-ylmethyl)acetamide
SMILESCN(Cc1cnns1)C(=O)C(F)(F)F
InChIInChI=1S/C6H6F3N3OS/c1-12(5(13)6(7,8)9)3-4-2-10-11-14-4/h2H,3H2,1H3
InChIKeyBXZIAZXJZMIZSY-UHFFFAOYSA-N
XLogP1.06
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.19
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-(thiadiazol-5-ylmethyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-(thiadiazol-5-ylmethyl)acetamide (CID 130871566) is 2,2,2-trifluoro-N-methyl-N-(thiadiazol-5-ylmethyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-(thiadiazol-5-ylmethyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-(thiadiazol-5-ylmethyl)acetamide is CN(Cc1cnns1)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-(thiadiazol-5-ylmethyl)acetamide?
The InChIKey is BXZIAZXJZMIZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3OS/c1-12(5(13)6(7,8)9)3-4-2-10-11-14-4/h2H,3H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-(thiadiazol-5-ylmethyl)acetamide?
2,2,2-trifluoro-N-methyl-N-(thiadiazol-5-ylmethyl)acetamide has a molecular weight of 225.19 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-N-(thiadiazol-5-ylmethyl)acetamide is sourced from PubChem (CID 130871566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).