2,2,2-trifluoro-N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methyl]acetamide

C10H9F3N4OS — CID 126719887

IUPAC2,2,2-trifluoro-N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methyl]acetamide
SMILESCn1ccc(-c2ncc(CNC(=O)C(F)(F)F)s2)n1
InChIInChI=1S/C10H9F3N4OS/c1-17-3-2-7(16-17)8-14-4-6(19-8)5-15-9(18)10(11,12)13/h2-4H,5H2,1H3,(H,15,18)
InChIKeySWQCXLVEVCSQHF-UHFFFAOYSA-N
MW290.27 g/mol
LogP1.72
Rot. Bonds3

About 2,2,2-trifluoro-N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methyl]acetamide

2,2,2-trifluoro-N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methyl]acetamide (PubChem CID 126719887) has the molecular formula C10H9F3N4OS and a molecular weight of 290.27 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methyl]acetamide
PubChem CID126719887
Molecular FormulaC10H9F3N4OS
Molecular Weight290.27 g/mol
Exact Mass290.04
IUPAC Name2,2,2-trifluoro-N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methyl]acetamide
SMILESCn1ccc(-c2ncc(CNC(=O)C(F)(F)F)s2)n1
InChIInChI=1S/C10H9F3N4OS/c1-17-3-2-7(16-17)8-14-4-6(19-8)5-15-9(18)10(11,12)13/h2-4H,5H2,1H3,(H,15,18)
InChIKeySWQCXLVEVCSQHF-UHFFFAOYSA-N
XLogP1.72
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,2,2-trifluoro-N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methyl]acetamide with MolForge

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Related Compounds

2-(2-propan-2-yl-1,3-thiazol-4-yl)-N-(1-pyrazol-1-ylpropan-2-yl)acetamide
CID 45819880
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-(1H-pyrazol-1-yl)butanamide
CID 72882163
1-[5-Methylsulfanyl-3-(1,3-thiazol-2-yl)pyrazol-1-yl]ethanone
CID 2740140
N-[1-methyl-3-(1H-pyrazol-1-yl)propyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 50968801
1-[(2,5-Dimethylpyrazol-3-yl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 121527433
N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-4-(1H-pyrazol-1-yl)butanamide
CID 122561002
N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4-pyrazol-1-ylbutanamide
CID 125522300
N-[2-(2-methylpyrazol-3-yl)ethyl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
CID 126766372
1-(difluoromethyl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-3-carboxamide
CID 131906772
1-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 164636544
1-[[4-(1,1-Difluoroethyl)-1,3-thiazol-2-yl]methyl]pyrazole-3-carboxamide
CID 70864557
[2-(1-Methylpyrazol-3-yl)-1,3-thiazol-5-yl]methanamine;2,2,2-trifluoroacetic acid
CID 175861272

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methyl]acetamide (CID 126719887) is 2,2,2-trifluoro-N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methyl]acetamide is Cn1ccc(-c2ncc(CNC(=O)C(F)(F)F)s2)n1.
What is the InChIKey of 2,2,2-trifluoro-N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methyl]acetamide?
The InChIKey is SWQCXLVEVCSQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4OS/c1-17-3-2-7(16-17)8-14-4-6(19-8)5-15-9(18)10(11,12)13/h2-4H,5H2,1H3,(H,15,18).
What are the key properties of 2,2,2-trifluoro-N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methyl]acetamide?
2,2,2-trifluoro-N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methyl]acetamide has a molecular weight of 290.27 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methyl]acetamide is sourced from PubChem (CID 126719887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).