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

C8H7F3N4S — CID 19620894

IUPAC5-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-2-amine
SMILESCc1sc(N)nc1-n1ccc(C(F)(F)F)n1
InChIInChI=1S/C8H7F3N4S/c1-4-6(13-7(12)16-4)15-3-2-5(14-15)8(9,10)11/h2-3H,1H3,(H2,12,13)
InChIKeyRLLCBOLJBMTMOG-UHFFFAOYSA-N
MW248.23 g/mol
LogP2.24
Rot. Bonds1

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

5-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-2-amine (PubChem CID 19620894) has the molecular formula C8H7F3N4S and a molecular weight of 248.23 g/mol. Its IUPAC name is 5-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-2-amine
PubChem CID19620894
Molecular FormulaC8H7F3N4S
Molecular Weight248.23 g/mol
Exact Mass248.03
IUPAC Name5-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-2-amine
SMILESCc1sc(N)nc1-n1ccc(C(F)(F)F)n1
InChIInChI=1S/C8H7F3N4S/c1-4-6(13-7(12)16-4)15-3-2-5(14-15)8(9,10)11/h2-3H,1H3,(H2,12,13)
InChIKeyRLLCBOLJBMTMOG-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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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-2-amine?
The IUPAC name of 5-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-2-amine (CID 19620894) is 5-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-2-amine is Cc1sc(N)nc1-n1ccc(C(F)(F)F)n1.
What is the InChIKey of 5-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-2-amine?
The InChIKey is RLLCBOLJBMTMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N4S/c1-4-6(13-7(12)16-4)15-3-2-5(14-15)8(9,10)11/h2-3H,1H3,(H2,12,13).
What are the key properties of 5-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-2-amine?
5-methyl-4-[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 5-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 19620894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).