N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine

C12H15F3N4S — CID 106785451

IUPACN-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
SMILESCNC(c1cnc(C(F)(F)F)s1)c1c(C)nn(C)c1C
InChIInChI=1S/C12H15F3N4S/c1-6-9(7(2)19(4)18-6)10(16-3)8-5-17-11(20-8)12(13,14)15/h5,10,16H,1-4H3
InChIKeyCTUVPOQGIYQWRK-UHFFFAOYSA-N
MW304.34 g/mol
LogP2.82
Rot. Bonds3

About N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine

N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine (PubChem CID 106785451) has the molecular formula C12H15F3N4S and a molecular weight of 304.34 g/mol. Its IUPAC name is N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
PubChem CID106785451
Molecular FormulaC12H15F3N4S
Molecular Weight304.34 g/mol
Exact Mass304.10
IUPAC NameN-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
SMILESCNC(c1cnc(C(F)(F)F)s1)c1c(C)nn(C)c1C
InChIInChI=1S/C12H15F3N4S/c1-6-9(7(2)19(4)18-6)10(16-3)8-5-17-11(20-8)12(13,14)15/h5,10,16H,1-4H3
InChIKeyCTUVPOQGIYQWRK-UHFFFAOYSA-N
XLogP2.82
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine?
The IUPAC name of N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine (CID 106785451) is N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine.
What is the SMILES notation for N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine?
The canonical SMILES for N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine is CNC(c1cnc(C(F)(F)F)s1)c1c(C)nn(C)c1C.
What is the InChIKey of N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine?
The InChIKey is CTUVPOQGIYQWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4S/c1-6-9(7(2)19(4)18-6)10(16-3)8-5-17-11(20-8)12(13,14)15/h5,10,16H,1-4H3.
What are the key properties of N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine?
N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine has a molecular weight of 304.34 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine is sourced from PubChem (CID 106785451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).