2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-5-amine

C8H7F3N4S — CID 66778917

IUPAC2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-5-amine
SMILESCn1nc(C(F)(F)F)cc1-c1ncc(N)s1
InChIInChI=1S/C8H7F3N4S/c1-15-4(7-13-3-6(12)16-7)2-5(14-15)8(9,10)11/h2-3H,12H2,1H3
InChIKeyPXFYFQVKNGXUFM-UHFFFAOYSA-N
MW248.23 g/mol
LogP2.14
Rot. Bonds1

About 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-5-amine

2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-5-amine (PubChem CID 66778917) has the molecular formula C8H7F3N4S and a molecular weight of 248.23 g/mol. Its IUPAC name is 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-5-amine
PubChem CID66778917
Molecular FormulaC8H7F3N4S
Molecular Weight248.23 g/mol
Exact Mass248.03
IUPAC Name2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-5-amine
SMILESCn1nc(C(F)(F)F)cc1-c1ncc(N)s1
InChIInChI=1S/C8H7F3N4S/c1-15-4(7-13-3-6(12)16-7)2-5(14-15)8(9,10)11/h2-3H,12H2,1H3
InChIKeyPXFYFQVKNGXUFM-UHFFFAOYSA-N
XLogP2.14
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 132359707
2-(1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-YL)thiazole
CID 22288373
5-(2-Thiazolyl)-3-(trifluoromethyl)-1H-pyrazole
CID 53406906
2-[1-Methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-nitro-1,3-thiazole
CID 66780151
2-(4-Fluoro-3-methyl-1-propan-2-ylpyrazol-5-yl)-1,3-thiazole
CID 71055506
2-[1-Methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-nitroso-1,3-thiazole
CID 88581078
2-(4-Fluoro-1,5-dimethylpyrazol-3-yl)-1,3-thiazole
CID 89147293
2-(4-Fluoro-1,3-dimethylpyrazol-5-yl)-1,3-thiazole
CID 89257125
2-[[3-(Trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazole
CID 91186241
N-[1-(5-fluoro-1,2-dihydropyridin-4-yl)ethenyl]-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-5-amine
CID 144338861
[1-(2-Methyl-1,3-thiazol-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propylidene]hydrazine
CID 176258597
3-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-5-yl]-1H-pyridazin-6-one
CID 178710312

Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-5-amine?
The IUPAC name of 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-5-amine (CID 66778917) is 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-5-amine.
What is the SMILES notation for 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-5-amine?
The canonical SMILES for 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-5-amine is Cn1nc(C(F)(F)F)cc1-c1ncc(N)s1.
What is the InChIKey of 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-5-amine?
The InChIKey is PXFYFQVKNGXUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N4S/c1-15-4(7-13-3-6(12)16-7)2-5(14-15)8(9,10)11/h2-3H,12H2,1H3.
What are the key properties of 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-5-amine?
2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-5-amine has a molecular weight of 248.23 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-5-amine is sourced from PubChem (CID 66778917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).