2-methyl-N-[4-[2-[methyl(3,3,3-trifluoropropyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide

C13H18F3N3O2S — CID 86833562

IUPAC2-methyl-N-[4-[2-[methyl(3,3,3-trifluoropropyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide
SMILESCC(C)C(=O)Nc1nc(CC(=O)N(C)CCC(F)(F)F)cs1
InChIInChI=1S/C13H18F3N3O2S/c1-8(2)11(21)18-12-17-9(7-22-12)6-10(20)19(3)5-4-13(14,15)16/h7-8H,4-6H2,1-3H3,(H,17,18,21)
InChIKeyIIRSHZTXENLUCE-UHFFFAOYSA-N
MW337.37 g/mol
LogP2.69
Rot. Bonds6

About 2-methyl-N-[4-[2-[methyl(3,3,3-trifluoropropyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide

2-methyl-N-[4-[2-[methyl(3,3,3-trifluoropropyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide (PubChem CID 86833562) has the molecular formula C13H18F3N3O2S and a molecular weight of 337.37 g/mol. Its IUPAC name is 2-methyl-N-[4-[2-[methyl(3,3,3-trifluoropropyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-[2-[methyl(3,3,3-trifluoropropyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide
PubChem CID86833562
Molecular FormulaC13H18F3N3O2S
Molecular Weight337.37 g/mol
Exact Mass337.11
IUPAC Name2-methyl-N-[4-[2-[methyl(3,3,3-trifluoropropyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide
SMILESCC(C)C(=O)Nc1nc(CC(=O)N(C)CCC(F)(F)F)cs1
InChIInChI=1S/C13H18F3N3O2S/c1-8(2)11(21)18-12-17-9(7-22-12)6-10(20)19(3)5-4-13(14,15)16/h7-8H,4-6H2,1-3H3,(H,17,18,21)
InChIKeyIIRSHZTXENLUCE-UHFFFAOYSA-N
XLogP2.69
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[4-[2-[methyl(3,3,3-trifluoropropyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide 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-methyl-N-[4-[2-[methyl(3,3,3-trifluoropropyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 2-methyl-N-[4-[2-[methyl(3,3,3-trifluoropropyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide (CID 86833562) is 2-methyl-N-[4-[2-[methyl(3,3,3-trifluoropropyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-[2-[methyl(3,3,3-trifluoropropyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 2-methyl-N-[4-[2-[methyl(3,3,3-trifluoropropyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide is CC(C)C(=O)Nc1nc(CC(=O)N(C)CCC(F)(F)F)cs1.
What is the InChIKey of 2-methyl-N-[4-[2-[methyl(3,3,3-trifluoropropyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide?
The InChIKey is IIRSHZTXENLUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O2S/c1-8(2)11(21)18-12-17-9(7-22-12)6-10(20)19(3)5-4-13(14,15)16/h7-8H,4-6H2,1-3H3,(H,17,18,21).
What are the key properties of 2-methyl-N-[4-[2-[methyl(3,3,3-trifluoropropyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide?
2-methyl-N-[4-[2-[methyl(3,3,3-trifluoropropyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide has a molecular weight of 337.37 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[2-[methyl(3,3,3-trifluoropropyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 86833562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).