2-methyl-N-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]propanamide

C10H13F3N2O2S — CID 59149483

IUPAC2-methyl-N-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]propanamide
SMILESCC(C)C(=O)Nc1ncc(C(C)(O)C(F)(F)F)s1
InChIInChI=1S/C10H13F3N2O2S/c1-5(2)7(16)15-8-14-4-6(18-8)9(3,17)10(11,12)13/h4-5,17H,1-3H3,(H,14,15,16)
InChIKeyZZCQBJSBTOZCTE-UHFFFAOYSA-N
MW282.29 g/mol
LogP2.51
Rot. Bonds3

About 2-methyl-N-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]propanamide

2-methyl-N-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]propanamide (PubChem CID 59149483) has the molecular formula C10H13F3N2O2S and a molecular weight of 282.29 g/mol. Its IUPAC name is 2-methyl-N-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]propanamide
PubChem CID59149483
Molecular FormulaC10H13F3N2O2S
Molecular Weight282.29 g/mol
Exact Mass282.06
IUPAC Name2-methyl-N-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]propanamide
SMILESCC(C)C(=O)Nc1ncc(C(C)(O)C(F)(F)F)s1
InChIInChI=1S/C10H13F3N2O2S/c1-5(2)7(16)15-8-14-4-6(18-8)9(3,17)10(11,12)13/h4-5,17H,1-3H3,(H,14,15,16)
InChIKeyZZCQBJSBTOZCTE-UHFFFAOYSA-N
XLogP2.51
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-Isopropyl-thiazol-2-yl)-isobutyramide
CID 44396116
2-(2-Amino-1,3-thiazol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 2318066
N-ethyl-N-(5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)thiazol-2-yl)isobutyramide
CID 44413431
N-butyl-N-(5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)thiazol-2-yl)isobutyramide
CID 44413432
N-butyl-N-(5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)thiazol-2-yl)acetamide
CID 44413485
N-butyl-N-(5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)thiazol-2-yl)butyramide
CID 44413486
N-(5-(1,1-Dimethylethyl)-2-thiazolyl)acetamide
CID 842040
N-(5-ethyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 71994018
N-butyl-N'-ethyl-N-{5-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]-1,3-thiazol-2-yl}urea
CID 10135168
N-(5-ethyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide
CID 12954380
N-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]-2-methylpropanamide
CID 57644091
N-ethyl-2-methyl-N-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]propanamide
CID 59149474

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 2-methyl-N-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]propanamide (CID 59149483) is 2-methyl-N-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 2-methyl-N-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]propanamide is CC(C)C(=O)Nc1ncc(C(C)(O)C(F)(F)F)s1.
What is the InChIKey of 2-methyl-N-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is ZZCQBJSBTOZCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2S/c1-5(2)7(16)15-8-14-4-6(18-8)9(3,17)10(11,12)13/h4-5,17H,1-3H3,(H,14,15,16).
What are the key properties of 2-methyl-N-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]propanamide?
2-methyl-N-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 282.29 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 59149483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).