2-[2-oxo-4-(trifluoromethyl)-1,3-thiazol-3-yl]-N-propan-2-ylacetamide

C9H11F3N2O2S — CID 71979625

IUPAC2-[2-oxo-4-(trifluoromethyl)-1,3-thiazol-3-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1c(C(F)(F)F)csc1=O
InChIInChI=1S/C9H11F3N2O2S/c1-5(2)13-7(15)3-14-6(9(10,11)12)4-17-8(14)16/h4-5H,3H2,1-2H3,(H,13,15)
InChIKeyCYDYVDAOHDRSLR-UHFFFAOYSA-N
MW268.26 g/mol
LogP1.45
Rot. Bonds3

About 2-[2-oxo-4-(trifluoromethyl)-1,3-thiazol-3-yl]-N-propan-2-ylacetamide

2-[2-oxo-4-(trifluoromethyl)-1,3-thiazol-3-yl]-N-propan-2-ylacetamide (PubChem CID 71979625) has the molecular formula C9H11F3N2O2S and a molecular weight of 268.26 g/mol. Its IUPAC name is 2-[2-oxo-4-(trifluoromethyl)-1,3-thiazol-3-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-oxo-4-(trifluoromethyl)-1,3-thiazol-3-yl]-N-propan-2-ylacetamide
PubChem CID71979625
Molecular FormulaC9H11F3N2O2S
Molecular Weight268.26 g/mol
Exact Mass268.05
IUPAC Name2-[2-oxo-4-(trifluoromethyl)-1,3-thiazol-3-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1c(C(F)(F)F)csc1=O
InChIInChI=1S/C9H11F3N2O2S/c1-5(2)13-7(15)3-14-6(9(10,11)12)4-17-8(14)16/h4-5H,3H2,1-2H3,(H,13,15)
InChIKeyCYDYVDAOHDRSLR-UHFFFAOYSA-N
XLogP1.45
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-4-(trifluoromethyl)-1,3-thiazol-3-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-oxo-4-(trifluoromethyl)-1,3-thiazol-3-yl]-N-propan-2-ylacetamide (CID 71979625) is 2-[2-oxo-4-(trifluoromethyl)-1,3-thiazol-3-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-oxo-4-(trifluoromethyl)-1,3-thiazol-3-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-oxo-4-(trifluoromethyl)-1,3-thiazol-3-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1c(C(F)(F)F)csc1=O.
What is the InChIKey of 2-[2-oxo-4-(trifluoromethyl)-1,3-thiazol-3-yl]-N-propan-2-ylacetamide?
The InChIKey is CYDYVDAOHDRSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2S/c1-5(2)13-7(15)3-14-6(9(10,11)12)4-17-8(14)16/h4-5H,3H2,1-2H3,(H,13,15).
What are the key properties of 2-[2-oxo-4-(trifluoromethyl)-1,3-thiazol-3-yl]-N-propan-2-ylacetamide?
2-[2-oxo-4-(trifluoromethyl)-1,3-thiazol-3-yl]-N-propan-2-ylacetamide has a molecular weight of 268.26 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-4-(trifluoromethyl)-1,3-thiazol-3-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 71979625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).