2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(1,1,1-trifluoro-3-methylbutan-2-yl)acetamide

C15H16F3N3OS — CID 126827360

IUPAC2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(1,1,1-trifluoro-3-methylbutan-2-yl)acetamide
SMILESCC(C)C(NC(=O)Cc1csc(-c2ccccn2)n1)C(F)(F)F
InChIInChI=1S/C15H16F3N3OS/c1-9(2)13(15(16,17)18)21-12(22)7-10-8-23-14(20-10)11-5-3-4-6-19-11/h3-6,8-9,13H,7H2,1-2H3,(H,21,22)
InChIKeyKBZDEYBHMUVXJK-UHFFFAOYSA-N
MW343.37 g/mol
LogP3.45
Rot. Bonds5

About 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(1,1,1-trifluoro-3-methylbutan-2-yl)acetamide

2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(1,1,1-trifluoro-3-methylbutan-2-yl)acetamide (PubChem CID 126827360) has the molecular formula C15H16F3N3OS and a molecular weight of 343.37 g/mol. Its IUPAC name is 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(1,1,1-trifluoro-3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(1,1,1-trifluoro-3-methylbutan-2-yl)acetamide
PubChem CID126827360
Molecular FormulaC15H16F3N3OS
Molecular Weight343.37 g/mol
Exact Mass343.10
IUPAC Name2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(1,1,1-trifluoro-3-methylbutan-2-yl)acetamide
SMILESCC(C)C(NC(=O)Cc1csc(-c2ccccn2)n1)C(F)(F)F
InChIInChI=1S/C15H16F3N3OS/c1-9(2)13(15(16,17)18)21-12(22)7-10-8-23-14(20-10)11-5-3-4-6-19-11/h3-6,8-9,13H,7H2,1-2H3,(H,21,22)
InChIKeyKBZDEYBHMUVXJK-UHFFFAOYSA-N
XLogP3.45
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(1,1,1-trifluoro-3-methylbutan-2-yl)acetamide with MolForge

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Related Compounds

N-propan-2-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 27648148
(2R)-3-methyl-2-[[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid
CID 39165191
N-(1-hydroxy-3-methylbutan-2-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 91822699
2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 26193084
N-pentan-3-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 17434682
N-[4-methyl-3-(trifluoromethyl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 16579285
(2S)-2-[[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]hexanoic acid
CID 39165215
N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 16563571
N-[1-(3-chlorophenyl)propyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 55582407
2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 16572212
N-(1-hydroxy-3-methylpentan-3-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 110002106
N-(2-amino-2-ethylbutyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide;dihydrochloride
CID 119641011

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(1,1,1-trifluoro-3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(1,1,1-trifluoro-3-methylbutan-2-yl)acetamide (CID 126827360) is 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(1,1,1-trifluoro-3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(1,1,1-trifluoro-3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(1,1,1-trifluoro-3-methylbutan-2-yl)acetamide is CC(C)C(NC(=O)Cc1csc(-c2ccccn2)n1)C(F)(F)F.
What is the InChIKey of 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(1,1,1-trifluoro-3-methylbutan-2-yl)acetamide?
The InChIKey is KBZDEYBHMUVXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3OS/c1-9(2)13(15(16,17)18)21-12(22)7-10-8-23-14(20-10)11-5-3-4-6-19-11/h3-6,8-9,13H,7H2,1-2H3,(H,21,22).
What are the key properties of 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(1,1,1-trifluoro-3-methylbutan-2-yl)acetamide?
2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(1,1,1-trifluoro-3-methylbutan-2-yl)acetamide has a molecular weight of 343.37 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(1,1,1-trifluoro-3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 126827360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).