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

C8H7F3N4S — CID 19616606

IUPAC4-methyl-5-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1-n1ccc(C(F)(F)F)n1
InChIInChI=1S/C8H7F3N4S/c1-4-6(16-7(12)13-4)15-3-2-5(14-15)8(9,10)11/h2-3H,1H3,(H2,12,13)
InChIKeyJGGXTJSNPHMHSG-UHFFFAOYSA-N
MW248.23 g/mol
LogP2.24
Rot. Bonds1

About 4-methyl-5-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-2-amine

4-methyl-5-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-2-amine (PubChem CID 19616606) has the molecular formula C8H7F3N4S and a molecular weight of 248.23 g/mol. Its IUPAC name is 4-methyl-5-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-5-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-2-amine
PubChem CID19616606
Molecular FormulaC8H7F3N4S
Molecular Weight248.23 g/mol
Exact Mass248.03
IUPAC Name4-methyl-5-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1-n1ccc(C(F)(F)F)n1
InChIInChI=1S/C8H7F3N4S/c1-4-6(16-7(12)13-4)15-3-2-5(14-15)8(9,10)11/h2-3H,1H3,(H2,12,13)
InChIKeyJGGXTJSNPHMHSG-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(Trifluoromethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole
CID 141497303
2-[5-(Difluoromethyl)pyrazol-1-yl]-5-methyl-1,3-thiazole
CID 173589740
2-[1-(2,2,2-Trifluoroethyl)pyrazol-3-yl]-1,3-thiazol-4-amine;hydrochloride
CID 176185170
2-[1-(2,2-Difluoroethyl)pyrazol-3-yl]-1,3-thiazol-4-amine
CID 176185214
1-(2-Methyl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyrazol-4-amine
CID 176658713
1-(1,3-Thiazol-2-yl)-5-(trifluoromethyl)pyrazol-4-amine
CID 176658928
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19530981
5-Methyl-4-[3-(trifluoromethyl)-1H-pyrazol-1-YL]-1,3-thiazol-2-amine
CID 19620894
4-[[3-(Trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-amine
CID 61631586
N-methyl-1-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-yl]methanamine
CID 62441772
N-[[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 62441773
N-[[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62442544

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-5-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-2-amine (CID 19616606) is 4-methyl-5-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-5-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-5-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-2-amine is Cc1nc(N)sc1-n1ccc(C(F)(F)F)n1.
What is the InChIKey of 4-methyl-5-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-2-amine?
The InChIKey is JGGXTJSNPHMHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N4S/c1-4-6(16-7(12)13-4)15-3-2-5(14-15)8(9,10)11/h2-3H,1H3,(H2,12,13).
What are the key properties of 4-methyl-5-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-2-amine?
4-methyl-5-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-2-amine has a molecular weight of 248.23 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 19616606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).