2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide

C11H15F3N2O3S — CID 78858516

IUPAC2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide
SMILESCc1csc(=O)n1CC(=O)NCCCOCC(F)(F)F
InChIInChI=1S/C11H15F3N2O3S/c1-8-6-20-10(18)16(8)5-9(17)15-3-2-4-19-7-11(12,13)14/h6H,2-5,7H2,1H3,(H,15,17)
InChIKeyBTOQTIDRMSCHAK-UHFFFAOYSA-N
MW312.31 g/mol
LogP1.30
Rot. Bonds7

About 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide

2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide (PubChem CID 78858516) has the molecular formula C11H15F3N2O3S and a molecular weight of 312.31 g/mol. Its IUPAC name is 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide.

Molecular Properties

Compound Name2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide
PubChem CID78858516
Molecular FormulaC11H15F3N2O3S
Molecular Weight312.31 g/mol
Exact Mass312.08
IUPAC Name2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide
SMILESCc1csc(=O)n1CC(=O)NCCCOCC(F)(F)F
InChIInChI=1S/C11H15F3N2O3S/c1-8-6-20-10(18)16(8)5-9(17)15-3-2-4-19-7-11(12,13)14/h6H,2-5,7H2,1H3,(H,15,17)
InChIKeyBTOQTIDRMSCHAK-UHFFFAOYSA-N
XLogP1.30
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.31
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(2,2,2-trifluoroethoxy)propyl]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 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide?
The IUPAC name of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide (CID 78858516) is 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide.
What is the SMILES notation for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide?
The canonical SMILES for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide is Cc1csc(=O)n1CC(=O)NCCCOCC(F)(F)F.
What is the InChIKey of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide?
The InChIKey is BTOQTIDRMSCHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O3S/c1-8-6-20-10(18)16(8)5-9(17)15-3-2-4-19-7-11(12,13)14/h6H,2-5,7H2,1H3,(H,15,17).
What are the key properties of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide?
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide has a molecular weight of 312.31 g/mol, XLogP of 1.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide is sourced from PubChem (CID 78858516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).