N-[(1-methylpyrazol-4-yl)methyl]-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]ethanamine

C12H15F3N4S — CID 75431500

IUPACN-[(1-methylpyrazol-4-yl)methyl]-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]ethanamine
SMILESCCN(Cc1cnn(C)c1)Cc1nc(C(F)(F)F)cs1
InChIInChI=1S/C12H15F3N4S/c1-3-19(6-9-4-16-18(2)5-9)7-11-17-10(8-20-11)12(13,14)15/h4-5,8H,3,6-7H2,1-2H3
InChIKeyRATPTGAJIJCROB-UHFFFAOYSA-N
MW304.34 g/mol
LogP2.92
Rot. Bonds5

About N-[(1-methylpyrazol-4-yl)methyl]-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]ethanamine

N-[(1-methylpyrazol-4-yl)methyl]-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]ethanamine (PubChem CID 75431500) has the molecular formula C12H15F3N4S and a molecular weight of 304.34 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]ethanamine
PubChem CID75431500
Molecular FormulaC12H15F3N4S
Molecular Weight304.34 g/mol
Exact Mass304.10
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]ethanamine
SMILESCCN(Cc1cnn(C)c1)Cc1nc(C(F)(F)F)cs1
InChIInChI=1S/C12H15F3N4S/c1-3-19(6-9-4-16-18(2)5-9)7-11-17-10(8-20-11)12(13,14)15/h4-5,8H,3,6-7H2,1-2H3
InChIKeyRATPTGAJIJCROB-UHFFFAOYSA-N
XLogP2.92
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]ethanamine (CID 75431500) is N-[(1-methylpyrazol-4-yl)methyl]-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]ethanamine is CCN(Cc1cnn(C)c1)Cc1nc(C(F)(F)F)cs1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]ethanamine?
The InChIKey is RATPTGAJIJCROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4S/c1-3-19(6-9-4-16-18(2)5-9)7-11-17-10(8-20-11)12(13,14)15/h4-5,8H,3,6-7H2,1-2H3.
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]ethanamine?
N-[(1-methylpyrazol-4-yl)methyl]-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]ethanamine has a molecular weight of 304.34 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)methyl]-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 75431500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).