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

C12H17F3N2O2S — CID 59149474

IUPACN-ethyl-2-methyl-N-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]propanamide
SMILESCCN(C(=O)C(C)C)c1ncc(C(C)(O)C(F)(F)F)s1
InChIInChI=1S/C12H17F3N2O2S/c1-5-17(9(18)7(2)3)10-16-6-8(20-10)11(4,19)12(13,14)15/h6-7,19H,5H2,1-4H3
InChIKeyZWVAWNGACULASU-UHFFFAOYSA-N
MW310.34 g/mol
LogP2.92
Rot. Bonds4

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

N-ethyl-2-methyl-N-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]propanamide (PubChem CID 59149474) has the molecular formula C12H17F3N2O2S and a molecular weight of 310.34 g/mol. Its IUPAC name is N-ethyl-2-methyl-N-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-ethyl-2-methyl-N-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]propanamide
PubChem CID59149474
Molecular FormulaC12H17F3N2O2S
Molecular Weight310.34 g/mol
Exact Mass310.10
IUPAC NameN-ethyl-2-methyl-N-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]propanamide
SMILESCCN(C(=O)C(C)C)c1ncc(C(C)(O)C(F)(F)F)s1
InChIInChI=1S/C12H17F3N2O2S/c1-5-17(9(18)7(2)3)10-16-6-8(20-10)11(4,19)12(13,14)15/h6-7,19H,5H2,1-4H3
InChIKeyZWVAWNGACULASU-UHFFFAOYSA-N
XLogP2.92
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-N-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of N-ethyl-2-methyl-N-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]propanamide (CID 59149474) is N-ethyl-2-methyl-N-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for N-ethyl-2-methyl-N-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for N-ethyl-2-methyl-N-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]propanamide is CCN(C(=O)C(C)C)c1ncc(C(C)(O)C(F)(F)F)s1.
What is the InChIKey of N-ethyl-2-methyl-N-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is ZWVAWNGACULASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O2S/c1-5-17(9(18)7(2)3)10-16-6-8(20-10)11(4,19)12(13,14)15/h6-7,19H,5H2,1-4H3.
What are the key properties of N-ethyl-2-methyl-N-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]propanamide?
N-ethyl-2-methyl-N-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 310.34 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-N-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 59149474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).