N-butyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2,2,2-trifluoroethyl)acetamide

C12H17F3N2O2S — CID 78866531

IUPACN-butyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCCN(CC(F)(F)F)C(=O)Cn1c(C)csc1=O
InChIInChI=1S/C12H17F3N2O2S/c1-3-4-5-16(8-12(13,14)15)10(18)6-17-9(2)7-20-11(17)19/h7H,3-6,8H2,1-2H3
InChIKeyYWJWDVVRTYGBOB-UHFFFAOYSA-N
MW310.34 g/mol
LogP2.41
Rot. Bonds6

About N-butyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2,2,2-trifluoroethyl)acetamide

N-butyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 78866531) has the molecular formula C12H17F3N2O2S and a molecular weight of 310.34 g/mol. Its IUPAC name is N-butyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-butyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID78866531
Molecular FormulaC12H17F3N2O2S
Molecular Weight310.34 g/mol
Exact Mass310.10
IUPAC NameN-butyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCCN(CC(F)(F)F)C(=O)Cn1c(C)csc1=O
InChIInChI=1S/C12H17F3N2O2S/c1-3-4-5-16(8-12(13,14)15)10(18)6-17-9(2)7-20-11(17)19/h7H,3-6,8H2,1-2H3
InChIKeyYWJWDVVRTYGBOB-UHFFFAOYSA-N
XLogP2.41
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-butyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2,2,2-trifluoroethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-butyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 78866531) is N-butyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-butyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-butyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2,2,2-trifluoroethyl)acetamide is CCCCN(CC(F)(F)F)C(=O)Cn1c(C)csc1=O.
What is the InChIKey of N-butyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is YWJWDVVRTYGBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O2S/c1-3-4-5-16(8-12(13,14)15)10(18)6-17-9(2)7-20-11(17)19/h7H,3-6,8H2,1-2H3.
What are the key properties of N-butyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2,2,2-trifluoroethyl)acetamide?
N-butyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 310.34 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 78866531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).