2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide

C16H11F3N4O2S — CID 32979848

IUPAC2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
SMILESO=C(Cn1cccc(C(F)(F)F)c1=O)Nc1nc(-c2ccccn2)cs1
InChIInChI=1S/C16H11F3N4O2S/c17-16(18,19)10-4-3-7-23(14(10)25)8-13(24)22-15-21-12(9-26-15)11-5-1-2-6-20-11/h1-7,9H,8H2,(H,21,22,24)
InChIKeyIMMIYTKCHSUCMD-UHFFFAOYSA-N
MW380.35 g/mol
LogP3.02
Rot. Bonds4

About 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide

2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide (PubChem CID 32979848) has the molecular formula C16H11F3N4O2S and a molecular weight of 380.35 g/mol. Its IUPAC name is 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
PubChem CID32979848
Molecular FormulaC16H11F3N4O2S
Molecular Weight380.35 g/mol
Exact Mass380.06
IUPAC Name2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
SMILESO=C(Cn1cccc(C(F)(F)F)c1=O)Nc1nc(-c2ccccn2)cs1
InChIInChI=1S/C16H11F3N4O2S/c17-16(18,19)10-4-3-7-23(14(10)25)8-13(24)22-15-21-12(9-26-15)11-5-1-2-6-20-11/h1-7,9H,8H2,(H,21,22,24)
InChIKeyIMMIYTKCHSUCMD-UHFFFAOYSA-N
XLogP3.02
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 32936666
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 32938737
2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide
CID 31700678
2-indol-1-yl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 52898485
methyl 2-[2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 39042022
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 32891703
2-(6-fluoroindol-1-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 56762301
2-tert-butylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 4798895
2-(4-methylindol-1-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 53370994
N-[4-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-2-(3-methyl-2-oxo-1-pyridinyl)acetamide
CID 126771267
3-indol-1-yl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 41164524
2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 122143857

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide (CID 32979848) is 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide is O=C(Cn1cccc(C(F)(F)F)c1=O)Nc1nc(-c2ccccn2)cs1.
What is the InChIKey of 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide?
The InChIKey is IMMIYTKCHSUCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N4O2S/c17-16(18,19)10-4-3-7-23(14(10)25)8-13(24)22-15-21-12(9-26-15)11-5-1-2-6-20-11/h1-7,9H,8H2,(H,21,22,24).
What are the key properties of 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide?
2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide has a molecular weight of 380.35 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 32979848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).