2,2-dimethyl-N-[2-oxo-2-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]ethyl]propanamide

C13H18F3N3O2S — CID 71993361

IUPAC2,2-dimethyl-N-[2-oxo-2-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]ethyl]propanamide
SMILESCC(C)(C)C(=O)NCC(=O)NCCc1nc(C(F)(F)F)cs1
InChIInChI=1S/C13H18F3N3O2S/c1-12(2,3)11(21)18-6-9(20)17-5-4-10-19-8(7-22-10)13(14,15)16/h7H,4-6H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyCJKONMYYBYUDBM-UHFFFAOYSA-N
MW337.37 g/mol
LogP1.98
Rot. Bonds5

About 2,2-dimethyl-N-[2-oxo-2-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]ethyl]propanamide

2,2-dimethyl-N-[2-oxo-2-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]ethyl]propanamide (PubChem CID 71993361) has the molecular formula C13H18F3N3O2S and a molecular weight of 337.37 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-oxo-2-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]ethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-oxo-2-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]ethyl]propanamide
PubChem CID71993361
Molecular FormulaC13H18F3N3O2S
Molecular Weight337.37 g/mol
Exact Mass337.11
IUPAC Name2,2-dimethyl-N-[2-oxo-2-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]ethyl]propanamide
SMILESCC(C)(C)C(=O)NCC(=O)NCCc1nc(C(F)(F)F)cs1
InChIInChI=1S/C13H18F3N3O2S/c1-12(2,3)11(21)18-6-9(20)17-5-4-10-19-8(7-22-10)13(14,15)16/h7H,4-6H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyCJKONMYYBYUDBM-UHFFFAOYSA-N
XLogP1.98
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]-N-propan-2-ylacetamide
CID 32049043
3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 39632677
N-methyl-N-[2-(methylamino)-2-oxoethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 45887778
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 47031356
N-ethyl-N-[2-(methylamino)-2-oxoethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 47035836
N-methyl-2-[methyl(propan-2-yl)amino]-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide
CID 71866600
2-(dimethylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pentanamide
CID 71905849
2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]-N-propan-2-ylacetamide
CID 71986454
N,N-dimethyl-2-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylcarbamoylamino]propanamide
CID 71990543
2-methyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]butanamide
CID 71993342
2-[methyl(propan-2-yl)amino]-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide
CID 71993368
2-[2-(4-Methyl-1,3-thiazol-2-yl)propan-2-ylamino]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 72114791

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-oxo-2-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]ethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-oxo-2-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]ethyl]propanamide (CID 71993361) is 2,2-dimethyl-N-[2-oxo-2-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]ethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-oxo-2-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]ethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-oxo-2-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]ethyl]propanamide is CC(C)(C)C(=O)NCC(=O)NCCc1nc(C(F)(F)F)cs1.
What is the InChIKey of 2,2-dimethyl-N-[2-oxo-2-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]ethyl]propanamide?
The InChIKey is CJKONMYYBYUDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O2S/c1-12(2,3)11(21)18-6-9(20)17-5-4-10-19-8(7-22-10)13(14,15)16/h7H,4-6H2,1-3H3,(H,17,20)(H,18,21).
What are the key properties of 2,2-dimethyl-N-[2-oxo-2-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]ethyl]propanamide?
2,2-dimethyl-N-[2-oxo-2-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]ethyl]propanamide has a molecular weight of 337.37 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-oxo-2-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]ethyl]propanamide is sourced from PubChem (CID 71993361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).