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

C17H18F3N3O2S — CID 21321161

IUPACN,2-dimethyl-N-[4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-2-yl]propanamide
SMILESCC(C)C(=O)N(C)c1nc(CC(=O)Nc2cccc(C(F)(F)F)c2)cs1
InChIInChI=1S/C17H18F3N3O2S/c1-10(2)15(25)23(3)16-22-13(9-26-16)8-14(24)21-12-6-4-5-11(7-12)17(18,19)20/h4-7,9-10H,8H2,1-3H3,(H,21,24)
InChIKeyKDNIEUWOMYPEAU-UHFFFAOYSA-N
MW385.41 g/mol
LogP3.96
Rot. Bonds5

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

N,2-dimethyl-N-[4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-2-yl]propanamide (PubChem CID 21321161) has the molecular formula C17H18F3N3O2S and a molecular weight of 385.41 g/mol. Its IUPAC name is N,2-dimethyl-N-[4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-2-yl]propanamide
PubChem CID21321161
Molecular FormulaC17H18F3N3O2S
Molecular Weight385.41 g/mol
Exact Mass385.11
IUPAC NameN,2-dimethyl-N-[4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-2-yl]propanamide
SMILESCC(C)C(=O)N(C)c1nc(CC(=O)Nc2cccc(C(F)(F)F)c2)cs1
InChIInChI=1S/C17H18F3N3O2S/c1-10(2)15(25)23(3)16-22-13(9-26-16)8-14(24)21-12-6-4-5-11(7-12)17(18,19)20/h4-7,9-10H,8H2,1-3H3,(H,21,24)
InChIKeyKDNIEUWOMYPEAU-UHFFFAOYSA-N
XLogP3.96
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[[4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-2-yl]amino] acetate
CID 21321153
2-[2-(methylcarbamoylamino)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 21321154
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7668155
2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 110389693
N-(4-bromophenyl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide
CID 30940674
N-methyl-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide
CID 30859922
N-(3-chloro-4-fluorophenyl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide
CID 30940704
2-[acetyl(propan-2-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113158239
2-(2-methyl-1,3-thiazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 38205069
N-(3-methylsulfanylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 31701201
2-(1,3-oxazol-4-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 110686374
3-[3-hydroxybutyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 111912610

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-2-yl]propanamide?
The IUPAC name of N,2-dimethyl-N-[4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-2-yl]propanamide (CID 21321161) is N,2-dimethyl-N-[4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for N,2-dimethyl-N-[4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for N,2-dimethyl-N-[4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-2-yl]propanamide is CC(C)C(=O)N(C)c1nc(CC(=O)Nc2cccc(C(F)(F)F)c2)cs1.
What is the InChIKey of N,2-dimethyl-N-[4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-2-yl]propanamide?
The InChIKey is KDNIEUWOMYPEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O2S/c1-10(2)15(25)23(3)16-22-13(9-26-16)8-14(24)21-12-6-4-5-11(7-12)17(18,19)20/h4-7,9-10H,8H2,1-3H3,(H,21,24).
What are the key properties of N,2-dimethyl-N-[4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-2-yl]propanamide?
N,2-dimethyl-N-[4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-2-yl]propanamide has a molecular weight of 385.41 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 21321161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).