N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

C12H13F3N4OS — CID 43069907

IUPACN-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)Nc1nc(C(F)(F)F)cs1
InChIInChI=1S/C12H13F3N4OS/c1-6-8(7(2)19(3)18-6)4-10(20)17-11-16-9(5-21-11)12(13,14)15/h5H,4H2,1-3H3,(H,16,17,20)
InChIKeyKHTXFEQHJMCOBX-UHFFFAOYSA-N
MW318.32 g/mol
LogP2.69
Rot. Bonds3

About N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 43069907) has the molecular formula C12H13F3N4OS and a molecular weight of 318.32 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID43069907
Molecular FormulaC12H13F3N4OS
Molecular Weight318.32 g/mol
Exact Mass318.08
IUPAC NameN-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)Nc1nc(C(F)(F)F)cs1
InChIInChI=1S/C12H13F3N4OS/c1-6-8(7(2)19(3)18-6)4-10(20)17-11-16-9(5-21-11)12(13,14)15/h5H,4H2,1-3H3,(H,16,17,20)
InChIKeyKHTXFEQHJMCOBX-UHFFFAOYSA-N
XLogP2.69
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 24581304
N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 24611851
N-(4-(2-amino-2-oxoethyl)thiazol-2-yl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)acetamide
CID 49720286
2-[3,5-Dimethyl-1-(4-methyl-1,3-thiazol-2-YL)-1H-pyrazol-4-YL]-1-(pyrrolidin-1-YL)ethan-1-one
CID 53003388
2-{2-[3,5-Dimethyl-4-(prop-2-EN-1-YL)-1H-pyrazol-1-YL]-1,3-thiazol-4-YL}-N-propylacetamide
CID 46269571
2-[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 5143326
N-(4-methyl-1,3-thiazol-2-yl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 19579726
N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 18130067
2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 16622523
2-[2-[[2-[5,7-Dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetyl]amino]-1,3-thiazol-4-yl]acetamide
CID 16622600
1-(difluoromethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-1H-pyrazole-3-carboxamide
CID 17025310
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
CID 17475576

Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 43069907) is N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1CC(=O)Nc1nc(C(F)(F)F)cs1.
What is the InChIKey of N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is KHTXFEQHJMCOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4OS/c1-6-8(7(2)19(3)18-6)4-10(20)17-11-16-9(5-21-11)12(13,14)15/h5H,4H2,1-3H3,(H,16,17,20).
What are the key properties of N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 318.32 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 43069907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).