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

C8H7F3N4S — CID 86662683

IUPAC5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine
SMILESCn1nc(C(F)(F)F)cc1-c1cnc(N)s1
InChIInChI=1S/C8H7F3N4S/c1-15-4(5-3-13-7(12)16-5)2-6(14-15)8(9,10)11/h2-3H,1H3,(H2,12,13)
InChIKeyYVVUUQSXTJLLNK-UHFFFAOYSA-N
MW248.23 g/mol
LogP2.14
Rot. Bonds1

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

5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine (PubChem CID 86662683) has the molecular formula C8H7F3N4S and a molecular weight of 248.23 g/mol. Its IUPAC name is 5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine
PubChem CID86662683
Molecular FormulaC8H7F3N4S
Molecular Weight248.23 g/mol
Exact Mass248.03
IUPAC Name5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine
SMILESCn1nc(C(F)(F)F)cc1-c1cnc(N)s1
InChIInChI=1S/C8H7F3N4S/c1-15-4(5-3-13-7(12)16-5)2-6(14-15)8(9,10)11/h2-3H,1H3,(H2,12,13)
InChIKeyYVVUUQSXTJLLNK-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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Frequently Asked Questions

What is the IUPAC name of 5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine (CID 86662683) is 5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine is Cn1nc(C(F)(F)F)cc1-c1cnc(N)s1.
What is the InChIKey of 5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine?
The InChIKey is YVVUUQSXTJLLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N4S/c1-15-4(5-3-13-7(12)16-5)2-6(14-15)8(9,10)11/h2-3H,1H3,(H2,12,13).
What are the key properties of 5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine?
5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-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 5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 86662683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).