[2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methanamine;2,2,2-trifluoroacetic acid

C10H11F3N4O2S — CID 175861272

IUPAC[2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methanamine;2,2,2-trifluoroacetic acid
SMILESCn1ccc(-c2ncc(CN)s2)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H10N4S.C2HF3O2/c1-12-3-2-7(11-12)8-10-5-6(4-9)13-8;3-2(4,5)1(6)7/h2-3,5H,4,9H2,1H3;(H,6,7)
InChIKeyPJSXCWBUBWSHMM-UHFFFAOYSA-N
MW308.29 g/mol
LogP1.64
Rot. Bonds2

About [2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methanamine;2,2,2-trifluoroacetic acid

[2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methanamine;2,2,2-trifluoroacetic acid (PubChem CID 175861272) has the molecular formula C10H11F3N4O2S and a molecular weight of 308.29 g/mol. Its IUPAC name is [2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name[2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methanamine;2,2,2-trifluoroacetic acid
PubChem CID175861272
Molecular FormulaC10H11F3N4O2S
Molecular Weight308.29 g/mol
Exact Mass308.06
IUPAC Name[2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methanamine;2,2,2-trifluoroacetic acid
SMILESCn1ccc(-c2ncc(CN)s2)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H10N4S.C2HF3O2/c1-12-3-2-7(11-12)8-10-5-6(4-9)13-8;3-2(4,5)1(6)7/h2-3,5H,4,9H2,1H3;(H,6,7)
InChIKeyPJSXCWBUBWSHMM-UHFFFAOYSA-N
XLogP1.64
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methanamine;2,2,2-trifluoroacetic acid?
The IUPAC name of [2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methanamine;2,2,2-trifluoroacetic acid (CID 175861272) is [2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methanamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for [2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methanamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for [2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methanamine;2,2,2-trifluoroacetic acid is Cn1ccc(-c2ncc(CN)s2)n1.O=C(O)C(F)(F)F.
What is the InChIKey of [2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methanamine;2,2,2-trifluoroacetic acid?
The InChIKey is PJSXCWBUBWSHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4S.C2HF3O2/c1-12-3-2-7(11-12)8-10-5-6(4-9)13-8;3-2(4,5)1(6)7/h2-3,5H,4,9H2,1H3;(H,6,7).
What are the key properties of [2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methanamine;2,2,2-trifluoroacetic acid?
[2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methanamine;2,2,2-trifluoroacetic acid has a molecular weight of 308.29 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175861272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).