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

C8H7F3N4S — CID 79774938

IUPAC5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(Cn2cc(C(F)(F)F)cn2)s1
InChIInChI=1S/C8H7F3N4S/c9-8(10,11)5-1-14-15(3-5)4-6-2-13-7(12)16-6/h1-3H,4H2,(H2,12,13)
InChIKeyBQNXHNRHEJEOCZ-UHFFFAOYSA-N
MW248.23 g/mol
LogP1.99
Rot. Bonds2

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

5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 79774938) has the molecular formula C8H7F3N4S and a molecular weight of 248.23 g/mol. Its IUPAC name is 5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-amine
PubChem CID79774938
Molecular FormulaC8H7F3N4S
Molecular Weight248.23 g/mol
Exact Mass248.03
IUPAC Name5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(Cn2cc(C(F)(F)F)cn2)s1
InChIInChI=1S/C8H7F3N4S/c9-8(10,11)5-1-14-15(3-5)4-6-2-13-7(12)16-6/h1-3H,4H2,(H2,12,13)
InChIKeyBQNXHNRHEJEOCZ-UHFFFAOYSA-N
XLogP1.99
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-amine (CID 79774938) is 5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-amine is Nc1ncc(Cn2cc(C(F)(F)F)cn2)s1.
What is the InChIKey of 5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is BQNXHNRHEJEOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N4S/c9-8(10,11)5-1-14-15(3-5)4-6-2-13-7(12)16-6/h1-3H,4H2,(H2,12,13).
What are the key properties of 5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-amine?
5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 248.23 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79774938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).