2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide

C9H12F3N3O2S — CID 106380787

IUPAC2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NCc1csc(=O)[nH]1)C(=O)NCC(F)(F)F
InChIInChI=1S/C9H12F3N3O2S/c1-5(7(16)14-4-9(10,11)12)13-2-6-3-18-8(17)15-6/h3,5,13H,2,4H2,1H3,(H,14,16)(H,15,17)
InChIKeyYLSXRLXBHYDORK-UHFFFAOYSA-N
MW283.28 g/mol
LogP0.59
Rot. Bonds5

About 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide

2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 106380787) has the molecular formula C9H12F3N3O2S and a molecular weight of 283.28 g/mol. Its IUPAC name is 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID106380787
Molecular FormulaC9H12F3N3O2S
Molecular Weight283.28 g/mol
Exact Mass283.06
IUPAC Name2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NCc1csc(=O)[nH]1)C(=O)NCC(F)(F)F
InChIInChI=1S/C9H12F3N3O2S/c1-5(7(16)14-4-9(10,11)12)13-2-6-3-18-8(17)15-6/h3,5,13H,2,4H2,1H3,(H,14,16)(H,15,17)
InChIKeyYLSXRLXBHYDORK-UHFFFAOYSA-N
XLogP0.59
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-difluoro-2,2-dimethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
CID 132381750
2-[2-oxo-4-(trifluoromethyl)-1,3-thiazol-3-yl]-N-propan-2-ylacetamide
CID 71979625
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide
CID 78858516
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 103862860
2,2,2-trifluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide
CID 103862883
2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 106380838
2-amino-3,3,3-trifluoro-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
CID 106381292
2,2,3,3-tetrafluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
CID 106383573
2,2-difluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide
CID 106383581
2,2,3,3,3-pentafluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
CID 106383582
N-prop-2-enyl-2-[2-(trifluoromethylsulfanyl)ethylamino]propanamide
CID 106429195
N-(3-amino-2,2-difluoropropyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 120408370

Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide (CID 106380787) is 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide is CC(NCc1csc(=O)[nH]1)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is YLSXRLXBHYDORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O2S/c1-5(7(16)14-4-9(10,11)12)13-2-6-3-18-8(17)15-6/h3,5,13H,2,4H2,1H3,(H,14,16)(H,15,17).
What are the key properties of 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 283.28 g/mol, XLogP of 0.59, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 106380787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).