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

C11H11F3N4OS — CID 136573419

IUPACN-(2,5-dimethylpyrazol-3-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1cc(NC(=O)Cc2nc(C(F)(F)F)cs2)n(C)n1
InChIInChI=1S/C11H11F3N4OS/c1-6-3-8(18(2)17-6)16-9(19)4-10-15-7(5-20-10)11(12,13)14/h3,5H,4H2,1-2H3,(H,16,19)
InChIKeyANABOEUTOUAWTI-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.39
Rot. Bonds3

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

N-(2,5-dimethylpyrazol-3-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 136573419) has the molecular formula C11H11F3N4OS and a molecular weight of 304.30 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
PubChem CID136573419
Molecular FormulaC11H11F3N4OS
Molecular Weight304.30 g/mol
Exact Mass304.06
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1cc(NC(=O)Cc2nc(C(F)(F)F)cs2)n(C)n1
InChIInChI=1S/C11H11F3N4OS/c1-6-3-8(18(2)17-6)16-9(19)4-10-15-7(5-20-10)11(12,13)14/h3,5H,4H2,1-2H3,(H,16,19)
InChIKeyANABOEUTOUAWTI-UHFFFAOYSA-N
XLogP2.39
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide (CID 136573419) is N-(2,5-dimethylpyrazol-3-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide is Cc1cc(NC(=O)Cc2nc(C(F)(F)F)cs2)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is ANABOEUTOUAWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4OS/c1-6-3-8(18(2)17-6)16-9(19)4-10-15-7(5-20-10)11(12,13)14/h3,5H,4H2,1-2H3,(H,16,19).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
N-(2,5-dimethylpyrazol-3-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 304.30 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 136573419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).