N-[5-acetyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide

C8H7F3N2O2S — CID 87682941

IUPACN-[5-acetyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C(F)(F)F)c(C(C)=O)s1
InChIInChI=1S/C8H7F3N2O2S/c1-3(14)5-6(8(9,10)11)13-7(16-5)12-4(2)15/h1-2H3,(H,12,13,15)
InChIKeyPTORQUSLFTYECG-UHFFFAOYSA-N
MW252.22 g/mol
LogP2.32
Rot. Bonds2

About N-[5-acetyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide

N-[5-acetyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 87682941) has the molecular formula C8H7F3N2O2S and a molecular weight of 252.22 g/mol. Its IUPAC name is N-[5-acetyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-acetyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
PubChem CID87682941
Molecular FormulaC8H7F3N2O2S
Molecular Weight252.22 g/mol
Exact Mass252.02
IUPAC NameN-[5-acetyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C(F)(F)F)c(C(C)=O)s1
InChIInChI=1S/C8H7F3N2O2S/c1-3(14)5-6(8(9,10)11)13-7(16-5)12-4(2)15/h1-2H3,(H,12,13,15)
InChIKeyPTORQUSLFTYECG-UHFFFAOYSA-N
XLogP2.32
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.22
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-acetyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-acetyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide (CID 87682941) is N-[5-acetyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-acetyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-acetyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C(F)(F)F)c(C(C)=O)s1.
What is the InChIKey of N-[5-acetyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is PTORQUSLFTYECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O2S/c1-3(14)5-6(8(9,10)11)13-7(16-5)12-4(2)15/h1-2H3,(H,12,13,15).
What are the key properties of N-[5-acetyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
N-[5-acetyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 252.22 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-acetyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 87682941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).