2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylacetamide

C20H16F3N3O2S — CID 31955898

IUPAC2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylacetamide
SMILESC=CCN(C(=O)Cn1cccc(C(F)(F)F)c1=O)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C20H16F3N3O2S/c1-2-10-26(19-24-16(13-29-19)14-7-4-3-5-8-14)17(27)12-25-11-6-9-15(18(25)28)20(21,22)23/h2-9,11,13H,1,10,12H2
InChIKeyFAPULZAWVUELCI-UHFFFAOYSA-N
MW419.43 g/mol
LogP4.21
Rot. Bonds6

About 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylacetamide

2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylacetamide (PubChem CID 31955898) has the molecular formula C20H16F3N3O2S and a molecular weight of 419.43 g/mol. Its IUPAC name is 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylacetamide
PubChem CID31955898
Molecular FormulaC20H16F3N3O2S
Molecular Weight419.43 g/mol
Exact Mass419.09
IUPAC Name2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylacetamide
SMILESC=CCN(C(=O)Cn1cccc(C(F)(F)F)c1=O)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C20H16F3N3O2S/c1-2-10-26(19-24-16(13-29-19)14-7-4-3-5-8-14)17(27)12-25-11-6-9-15(18(25)28)20(21,22)23/h2-9,11,13H,1,10,12H2
InChIKeyFAPULZAWVUELCI-UHFFFAOYSA-N
XLogP4.21
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.43
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(3-nitropyrazol-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylacetamide
CID 47045980
N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
CID 2675968
2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylacetamide
CID 4851515
2-(1-phenylpyrazol-4-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylacetamide
CID 31842307
2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylacetamide
CID 26212357
2-(2-methoxyphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylacetamide
CID 8840087
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpropanamide
CID 24594408
3,5-difluoro-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
CID 8840086
2-(4-methoxyphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylacetamide
CID 2675972
4-(2,5-dioxopyrrolidin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
CID 29441723
4-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
CID 2675971
N-[(2-fluorophenyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-prop-2-enylacetamide
CID 55920767

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylacetamide?
The IUPAC name of 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylacetamide (CID 31955898) is 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylacetamide?
The canonical SMILES for 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylacetamide is C=CCN(C(=O)Cn1cccc(C(F)(F)F)c1=O)c1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylacetamide?
The InChIKey is FAPULZAWVUELCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O2S/c1-2-10-26(19-24-16(13-29-19)14-7-4-3-5-8-14)17(27)12-25-11-6-9-15(18(25)28)20(21,22)23/h2-9,11,13H,1,10,12H2.
What are the key properties of 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylacetamide?
2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylacetamide has a molecular weight of 419.43 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylacetamide is sourced from PubChem (CID 31955898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).