1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-5-(trifluoromethyl)pyridin-2-one

C12H12F3N3OS — CID 79775313

IUPAC1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-5-(trifluoromethyl)pyridin-2-one
SMILESCCNc1ncc(Cn2cc(C(F)(F)F)ccc2=O)s1
InChIInChI=1S/C12H12F3N3OS/c1-2-16-11-17-5-9(20-11)7-18-6-8(12(13,14)15)3-4-10(18)19/h3-6H,2,7H2,1H3,(H,16,17)
InChIKeyZTHNAEGBFMJCMU-UHFFFAOYSA-N
MW303.31 g/mol
LogP2.80
Rot. Bonds4

About 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-5-(trifluoromethyl)pyridin-2-one

1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 79775313) has the molecular formula C12H12F3N3OS and a molecular weight of 303.31 g/mol. Its IUPAC name is 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-5-(trifluoromethyl)pyridin-2-one
PubChem CID79775313
Molecular FormulaC12H12F3N3OS
Molecular Weight303.31 g/mol
Exact Mass303.07
IUPAC Name1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-5-(trifluoromethyl)pyridin-2-one
SMILESCCNc1ncc(Cn2cc(C(F)(F)F)ccc2=O)s1
InChIInChI=1S/C12H12F3N3OS/c1-2-16-11-17-5-9(20-11)7-18-6-8(12(13,14)15)3-4-10(18)19/h3-6H,2,7H2,1H3,(H,16,17)
InChIKeyZTHNAEGBFMJCMU-UHFFFAOYSA-N
XLogP2.80
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

US10913733, Example 3
CID 129251725
N-(5-ethyl-1,3-thiazol-2-yl)-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 136558359
2-amino-N-[(3-fluoro-6-methylcyclohexa-1,5-dien-1-yl)methyl]-1,3-thiazole-5-carboxamide
CID 163997352
2-acetamido-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide
CID 167587644
N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 167627100
N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 167673559
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 24555165
N-(5-methyl-1,3-thiazol-2-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 25948124
N-(5-methyl-1,3-thiazol-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 31939975
1-[[2-(Propylamino)-1,3-thiazol-5-yl]methyl]-5-(trifluoromethyl)pyridin-2-one
CID 79760514
1-[(2-Hydrazinyl-1,3-thiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
CID 79765420
1-[(2-Amino-1,3-thiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
CID 79775220

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-5-(trifluoromethyl)pyridin-2-one (CID 79775313) is 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-5-(trifluoromethyl)pyridin-2-one is CCNc1ncc(Cn2cc(C(F)(F)F)ccc2=O)s1.
What is the InChIKey of 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is ZTHNAEGBFMJCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3OS/c1-2-16-11-17-5-9(20-11)7-18-6-8(12(13,14)15)3-4-10(18)19/h3-6H,2,7H2,1H3,(H,16,17).
What are the key properties of 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-5-(trifluoromethyl)pyridin-2-one?
1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 303.31 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 79775313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).