N-[(1-methylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine

C11H13F3N4S — CID 106783315

IUPACN-[(1-methylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNC(c1ccn(C)n1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C11H13F3N4S/c1-3-15-9(7-4-5-18(2)17-7)8-6-16-10(19-8)11(12,13)14/h4-6,9,15H,3H2,1-2H3
InChIKeyROSJNLIKWWWRMI-UHFFFAOYSA-N
MW290.31 g/mol
LogP2.59
Rot. Bonds4

About N-[(1-methylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine

N-[(1-methylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 106783315) has the molecular formula C11H13F3N4S and a molecular weight of 290.31 g/mol. Its IUPAC name is N-[(1-methylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID106783315
Molecular FormulaC11H13F3N4S
Molecular Weight290.31 g/mol
Exact Mass290.08
IUPAC NameN-[(1-methylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNC(c1ccn(C)n1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C11H13F3N4S/c1-3-15-9(7-4-5-18(2)17-7)8-6-16-10(19-8)11(12,13)14/h4-6,9,15H,3H2,1-2H3
InChIKeyROSJNLIKWWWRMI-UHFFFAOYSA-N
XLogP2.59
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[(1-methylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 106783315) is N-[(1-methylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[(1-methylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[(1-methylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine is CCNC(c1ccn(C)n1)c1cnc(C(F)(F)F)s1.
What is the InChIKey of N-[(1-methylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is ROSJNLIKWWWRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4S/c1-3-15-9(7-4-5-18(2)17-7)8-6-16-10(19-8)11(12,13)14/h4-6,9,15H,3H2,1-2H3.
What are the key properties of N-[(1-methylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-[(1-methylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 290.31 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 106783315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).