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

C12H11F5N4OS — CID 48658167

IUPAC2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1nn(C(F)F)c(C)c1CC(=O)Nc1nc(C(F)(F)F)cs1
InChIInChI=1S/C12H11F5N4OS/c1-5-7(6(2)21(20-5)10(13)14)3-9(22)19-11-18-8(4-23-11)12(15,16)17/h4,10H,3H2,1-2H3,(H,18,19,22)
InChIKeyCDUOZVGRPITPJT-UHFFFAOYSA-N
MW354.30 g/mol
LogP3.55
Rot. Bonds4

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

2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 48658167) has the molecular formula C12H11F5N4OS and a molecular weight of 354.30 g/mol. Its IUPAC name is 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
PubChem CID48658167
Molecular FormulaC12H11F5N4OS
Molecular Weight354.30 g/mol
Exact Mass354.06
IUPAC Name2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1nn(C(F)F)c(C)c1CC(=O)Nc1nc(C(F)(F)F)cs1
InChIInChI=1S/C12H11F5N4OS/c1-5-7(6(2)21(20-5)10(13)14)3-9(22)19-11-18-8(4-23-11)12(15,16)17/h4,10H,3H2,1-2H3,(H,18,19,22)
InChIKeyCDUOZVGRPITPJT-UHFFFAOYSA-N
XLogP3.55
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.30
LogP ≤ 53.55
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-[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
2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 18152911

Frequently Asked Questions

What is the IUPAC name of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide (CID 48658167) is 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide is Cc1nn(C(F)F)c(C)c1CC(=O)Nc1nc(C(F)(F)F)cs1.
What is the InChIKey of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is CDUOZVGRPITPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F5N4OS/c1-5-7(6(2)21(20-5)10(13)14)3-9(22)19-11-18-8(4-23-11)12(15,16)17/h4,10H,3H2,1-2H3,(H,18,19,22).
What are the key properties of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 354.30 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 48658167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).