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

C17H19F3N2OS — CID 7119189

IUPAC2,2-dimethyl-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]propanamide
SMILESCC(C)(C)C(=O)NCCc1csc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C17H19F3N2OS/c1-16(2,3)15(23)21-9-8-13-10-24-14(22-13)11-4-6-12(7-5-11)17(18,19)20/h4-7,10H,8-9H2,1-3H3,(H,21,23)
InChIKeyJPKWHNXIMZUUSA-UHFFFAOYSA-N
MW356.41 g/mol
LogP4.53
Rot. Bonds4

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

2,2-dimethyl-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]propanamide (PubChem CID 7119189) has the molecular formula C17H19F3N2OS and a molecular weight of 356.41 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]propanamide
PubChem CID7119189
Molecular FormulaC17H19F3N2OS
Molecular Weight356.41 g/mol
Exact Mass356.12
IUPAC Name2,2-dimethyl-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]propanamide
SMILESCC(C)(C)C(=O)NCCc1csc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C17H19F3N2OS/c1-16(2,3)15(23)21-9-8-13-10-24-14(22-13)11-4-6-12(7-5-11)17(18,19)20/h4-7,10H,8-9H2,1-3H3,(H,21,23)
InChIKeyJPKWHNXIMZUUSA-UHFFFAOYSA-N
XLogP4.53
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]propanamide (CID 7119189) is 2,2-dimethyl-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]propanamide is CC(C)(C)C(=O)NCCc1csc(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 2,2-dimethyl-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]propanamide?
The InChIKey is JPKWHNXIMZUUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2OS/c1-16(2,3)15(23)21-9-8-13-10-24-14(22-13)11-4-6-12(7-5-11)17(18,19)20/h4-7,10H,8-9H2,1-3H3,(H,21,23).
What are the key properties of 2,2-dimethyl-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]propanamide?
2,2-dimethyl-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]propanamide has a molecular weight of 356.41 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]propanamide is sourced from PubChem (CID 7119189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).