N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide

C8H9F3N2OS — CID 62492183

IUPACN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide
SMILESCCc1nc(NC(=O)C(F)(F)F)sc1C
InChIInChI=1S/C8H9F3N2OS/c1-3-5-4(2)15-7(12-5)13-6(14)8(9,10)11/h3H2,1-2H3,(H,12,13,14)
InChIKeyUSFXAWKKDLELFT-UHFFFAOYSA-N
MW238.23 g/mol
LogP2.51
Rot. Bonds2

About N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide

N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide (PubChem CID 62492183) has the molecular formula C8H9F3N2OS and a molecular weight of 238.23 g/mol. Its IUPAC name is N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide
PubChem CID62492183
Molecular FormulaC8H9F3N2OS
Molecular Weight238.23 g/mol
Exact Mass238.04
IUPAC NameN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide
SMILESCCc1nc(NC(=O)C(F)(F)F)sc1C
InChIInChI=1S/C8H9F3N2OS/c1-3-5-4(2)15-7(12-5)13-6(14)8(9,10)11/h3H2,1-2H3,(H,12,13,14)
InChIKeyUSFXAWKKDLELFT-UHFFFAOYSA-N
XLogP2.51
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.23
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide (CID 62492183) is N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide is CCc1nc(NC(=O)C(F)(F)F)sc1C.
What is the InChIKey of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide?
The InChIKey is USFXAWKKDLELFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2OS/c1-3-5-4(2)15-7(12-5)13-6(14)8(9,10)11/h3H2,1-2H3,(H,12,13,14).
What are the key properties of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide?
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide has a molecular weight of 238.23 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 62492183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).