[2-(4-propan-2-ylpyrazol-1-yl)-1,3-thiazol-5-yl]methanamine;2,2,2-trifluoroacetic acid

C12H15F3N4O2S — CID 175861271

IUPAC[2-(4-propan-2-ylpyrazol-1-yl)-1,3-thiazol-5-yl]methanamine;2,2,2-trifluoroacetic acid
SMILESCC(C)c1cnn(-c2ncc(CN)s2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H14N4S.C2HF3O2/c1-7(2)8-4-13-14(6-8)10-12-5-9(3-11)15-10;3-2(4,5)1(6)7/h4-7H,3,11H2,1-2H3;(H,6,7)
InChIKeyARKLZIXSDRJTMS-UHFFFAOYSA-N
MW336.34 g/mol
LogP2.54
Rot. Bonds3

About [2-(4-propan-2-ylpyrazol-1-yl)-1,3-thiazol-5-yl]methanamine;2,2,2-trifluoroacetic acid

[2-(4-propan-2-ylpyrazol-1-yl)-1,3-thiazol-5-yl]methanamine;2,2,2-trifluoroacetic acid (PubChem CID 175861271) has the molecular formula C12H15F3N4O2S and a molecular weight of 336.34 g/mol. Its IUPAC name is [2-(4-propan-2-ylpyrazol-1-yl)-1,3-thiazol-5-yl]methanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name[2-(4-propan-2-ylpyrazol-1-yl)-1,3-thiazol-5-yl]methanamine;2,2,2-trifluoroacetic acid
PubChem CID175861271
Molecular FormulaC12H15F3N4O2S
Molecular Weight336.34 g/mol
Exact Mass336.09
IUPAC Name[2-(4-propan-2-ylpyrazol-1-yl)-1,3-thiazol-5-yl]methanamine;2,2,2-trifluoroacetic acid
SMILESCC(C)c1cnn(-c2ncc(CN)s2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H14N4S.C2HF3O2/c1-7(2)8-4-13-14(6-8)10-12-5-9(3-11)15-10;3-2(4,5)1(6)7/h4-7H,3,11H2,1-2H3;(H,6,7)
InChIKeyARKLZIXSDRJTMS-UHFFFAOYSA-N
XLogP2.54
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(4-propan-2-ylpyrazol-1-yl)-1,3-thiazol-5-yl]methanamine;2,2,2-trifluoroacetic acid?
The IUPAC name of [2-(4-propan-2-ylpyrazol-1-yl)-1,3-thiazol-5-yl]methanamine;2,2,2-trifluoroacetic acid (CID 175861271) is [2-(4-propan-2-ylpyrazol-1-yl)-1,3-thiazol-5-yl]methanamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for [2-(4-propan-2-ylpyrazol-1-yl)-1,3-thiazol-5-yl]methanamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for [2-(4-propan-2-ylpyrazol-1-yl)-1,3-thiazol-5-yl]methanamine;2,2,2-trifluoroacetic acid is CC(C)c1cnn(-c2ncc(CN)s2)c1.O=C(O)C(F)(F)F.
What is the InChIKey of [2-(4-propan-2-ylpyrazol-1-yl)-1,3-thiazol-5-yl]methanamine;2,2,2-trifluoroacetic acid?
The InChIKey is ARKLZIXSDRJTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S.C2HF3O2/c1-7(2)8-4-13-14(6-8)10-12-5-9(3-11)15-10;3-2(4,5)1(6)7/h4-7H,3,11H2,1-2H3;(H,6,7).
What are the key properties of [2-(4-propan-2-ylpyrazol-1-yl)-1,3-thiazol-5-yl]methanamine;2,2,2-trifluoroacetic acid?
[2-(4-propan-2-ylpyrazol-1-yl)-1,3-thiazol-5-yl]methanamine;2,2,2-trifluoroacetic acid has a molecular weight of 336.34 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-propan-2-ylpyrazol-1-yl)-1,3-thiazol-5-yl]methanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175861271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).