(3-ethyl-1-methylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine

C11H13F3N4S — CID 106785418

IUPAC(3-ethyl-1-methylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESCCc1nn(C)cc1C(N)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C11H13F3N4S/c1-3-7-6(5-18(2)17-7)9(15)8-4-16-10(19-8)11(12,13)14/h4-5,9H,3,15H2,1-2H3
InChIKeyLCWMGRALVLGCEA-UHFFFAOYSA-N
MW290.31 g/mol
LogP2.51
Rot. Bonds3

About (3-ethyl-1-methylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine

(3-ethyl-1-methylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 106785418) has the molecular formula C11H13F3N4S and a molecular weight of 290.31 g/mol. Its IUPAC name is (3-ethyl-1-methylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name(3-ethyl-1-methylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID106785418
Molecular FormulaC11H13F3N4S
Molecular Weight290.31 g/mol
Exact Mass290.08
IUPAC Name(3-ethyl-1-methylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESCCc1nn(C)cc1C(N)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C11H13F3N4S/c1-3-7-6(5-18(2)17-7)9(15)8-4-16-10(19-8)11(12,13)14/h4-5,9H,3,15H2,1-2H3
InChIKeyLCWMGRALVLGCEA-UHFFFAOYSA-N
XLogP2.51
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1-methylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of (3-ethyl-1-methylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (CID 106785418) is (3-ethyl-1-methylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for (3-ethyl-1-methylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for (3-ethyl-1-methylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is CCc1nn(C)cc1C(N)c1cnc(C(F)(F)F)s1.
What is the InChIKey of (3-ethyl-1-methylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is LCWMGRALVLGCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4S/c1-3-7-6(5-18(2)17-7)9(15)8-4-16-10(19-8)11(12,13)14/h4-5,9H,3,15H2,1-2H3.
What are the key properties of (3-ethyl-1-methylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
(3-ethyl-1-methylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 290.31 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1-methylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 106785418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).