4,4,4-trifluoro-N-(3-methyl-1,2-thiazol-5-yl)butanamide

C8H9F3N2OS — CID 155976705

IUPAC4,4,4-trifluoro-N-(3-methyl-1,2-thiazol-5-yl)butanamide
SMILESCc1cc(NC(=O)CCC(F)(F)F)sn1
InChIInChI=1S/C8H9F3N2OS/c1-5-4-7(15-13-5)12-6(14)2-3-8(9,10)11/h4H,2-3H2,1H3,(H,12,14)
InChIKeyXCZXUJBTGJDFRJ-UHFFFAOYSA-N
MW238.23 g/mol
LogP2.73
Rot. Bonds3

About 4,4,4-trifluoro-N-(3-methyl-1,2-thiazol-5-yl)butanamide

4,4,4-trifluoro-N-(3-methyl-1,2-thiazol-5-yl)butanamide (PubChem CID 155976705) has the molecular formula C8H9F3N2OS and a molecular weight of 238.23 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(3-methyl-1,2-thiazol-5-yl)butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(3-methyl-1,2-thiazol-5-yl)butanamide
PubChem CID155976705
Molecular FormulaC8H9F3N2OS
Molecular Weight238.23 g/mol
Exact Mass238.04
IUPAC Name4,4,4-trifluoro-N-(3-methyl-1,2-thiazol-5-yl)butanamide
SMILESCc1cc(NC(=O)CCC(F)(F)F)sn1
InChIInChI=1S/C8H9F3N2OS/c1-5-4-7(15-13-5)12-6(14)2-3-8(9,10)11/h4H,2-3H2,1H3,(H,12,14)
InChIKeyXCZXUJBTGJDFRJ-UHFFFAOYSA-N
XLogP2.73
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.23
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4,4,4-trifluoro-N-(3-methyl-1,2-thiazol-5-yl)butanamide 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 4,4,4-trifluoro-N-(3-methyl-1,2-thiazol-5-yl)butanamide?
The IUPAC name of 4,4,4-trifluoro-N-(3-methyl-1,2-thiazol-5-yl)butanamide (CID 155976705) is 4,4,4-trifluoro-N-(3-methyl-1,2-thiazol-5-yl)butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-(3-methyl-1,2-thiazol-5-yl)butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-(3-methyl-1,2-thiazol-5-yl)butanamide is Cc1cc(NC(=O)CCC(F)(F)F)sn1.
What is the InChIKey of 4,4,4-trifluoro-N-(3-methyl-1,2-thiazol-5-yl)butanamide?
The InChIKey is XCZXUJBTGJDFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2OS/c1-5-4-7(15-13-5)12-6(14)2-3-8(9,10)11/h4H,2-3H2,1H3,(H,12,14).
What are the key properties of 4,4,4-trifluoro-N-(3-methyl-1,2-thiazol-5-yl)butanamide?
4,4,4-trifluoro-N-(3-methyl-1,2-thiazol-5-yl)butanamide has a molecular weight of 238.23 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-(3-methyl-1,2-thiazol-5-yl)butanamide is sourced from PubChem (CID 155976705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).