2,2,2-trifluoro-N-(2-methylthiadiazol-5-ylidene)acetamide

C5H4F3N3OS — CID 88698582

IUPAC2,2,2-trifluoro-N-(2-methylthiadiazol-5-ylidene)acetamide
SMILESCn1nc/c(=N\C(=O)C(F)(F)F)s1
InChIInChI=1S/C5H4F3N3OS/c1-11-9-2-3(13-11)10-4(12)5(6,7)8/h2H,1H3/b10-3+
InChIKeyWYFYUIBHZSIDHM-XCVCLJGOSA-N
MW211.17 g/mol
LogP0.47
Rot. Bonds

About 2,2,2-trifluoro-N-(2-methylthiadiazol-5-ylidene)acetamide

2,2,2-trifluoro-N-(2-methylthiadiazol-5-ylidene)acetamide (PubChem CID 88698582) has the molecular formula C5H4F3N3OS and a molecular weight of 211.17 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-methylthiadiazol-5-ylidene)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-methylthiadiazol-5-ylidene)acetamide
PubChem CID88698582
Molecular FormulaC5H4F3N3OS
Molecular Weight211.17 g/mol
Exact Mass211.00
IUPAC Name2,2,2-trifluoro-N-(2-methylthiadiazol-5-ylidene)acetamide
SMILESCn1nc/c(=N\C(=O)C(F)(F)F)s1
InChIInChI=1S/C5H4F3N3OS/c1-11-9-2-3(13-11)10-4(12)5(6,7)8/h2H,1H3/b10-3+
InChIKeyWYFYUIBHZSIDHM-XCVCLJGOSA-N
XLogP0.47
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.17
LogP ≤ 50.47
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-(2-methylthiadiazol-5-ylidene)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(2-methylthiadiazol-5-ylidene)acetamide (CID 88698582) is 2,2,2-trifluoro-N-(2-methylthiadiazol-5-ylidene)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-methylthiadiazol-5-ylidene)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2-methylthiadiazol-5-ylidene)acetamide is Cn1nc/c(=N\C(=O)C(F)(F)F)s1.
What is the InChIKey of 2,2,2-trifluoro-N-(2-methylthiadiazol-5-ylidene)acetamide?
The InChIKey is WYFYUIBHZSIDHM-XCVCLJGOSA-N. The full InChI is InChI=1S/C5H4F3N3OS/c1-11-9-2-3(13-11)10-4(12)5(6,7)8/h2H,1H3/b10-3+.
What are the key properties of 2,2,2-trifluoro-N-(2-methylthiadiazol-5-ylidene)acetamide?
2,2,2-trifluoro-N-(2-methylthiadiazol-5-ylidene)acetamide has a molecular weight of 211.17 g/mol, XLogP of 0.47, 0 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-(2-methylthiadiazol-5-ylidene)acetamide is sourced from PubChem (CID 88698582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).