2,2,2-trifluoro-N-(2-methyl-1,3-thiazol-4-yl)acetamide

C6H5F3N2OS — CID 130654454

IUPAC2,2,2-trifluoro-N-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(NC(=O)C(F)(F)F)cs1
InChIInChI=1S/C6H5F3N2OS/c1-3-10-4(2-13-3)11-5(12)6(7,8)9/h2H,1H3,(H,11,12)
InChIKeyZFTHPSNJOUAKFK-UHFFFAOYSA-N
MW210.18 g/mol
LogP1.95
Rot. Bonds1

About 2,2,2-trifluoro-N-(2-methyl-1,3-thiazol-4-yl)acetamide

2,2,2-trifluoro-N-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 130654454) has the molecular formula C6H5F3N2OS and a molecular weight of 210.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID130654454
Molecular FormulaC6H5F3N2OS
Molecular Weight210.18 g/mol
Exact Mass210.01
IUPAC Name2,2,2-trifluoro-N-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(NC(=O)C(F)(F)F)cs1
InChIInChI=1S/C6H5F3N2OS/c1-3-10-4(2-13-3)11-5(12)6(7,8)9/h2H,1H3,(H,11,12)
InChIKeyZFTHPSNJOUAKFK-UHFFFAOYSA-N
XLogP1.95
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 130654454) is 2,2,2-trifluoro-N-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2-methyl-1,3-thiazol-4-yl)acetamide is Cc1nc(NC(=O)C(F)(F)F)cs1.
What is the InChIKey of 2,2,2-trifluoro-N-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is ZFTHPSNJOUAKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2OS/c1-3-10-4(2-13-3)11-5(12)6(7,8)9/h2H,1H3,(H,11,12).
What are the key properties of 2,2,2-trifluoro-N-(2-methyl-1,3-thiazol-4-yl)acetamide?
2,2,2-trifluoro-N-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 210.18 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 130654454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).