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

C10H11F3N4S — CID 106785892

IUPACN-methyl-1-(2-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESCNC(c1cnc(C(F)(F)F)s1)c1ccnn1C
InChIInChI=1S/C10H11F3N4S/c1-14-8(6-3-4-16-17(6)2)7-5-15-9(18-7)10(11,12)13/h3-5,8,14H,1-2H3
InChIKeyAFRRZNFITBNQIO-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.20
Rot. Bonds3

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

N-methyl-1-(2-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 106785892) has the molecular formula C10H11F3N4S and a molecular weight of 276.29 g/mol. Its IUPAC name is N-methyl-1-(2-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID106785892
Molecular FormulaC10H11F3N4S
Molecular Weight276.29 g/mol
Exact Mass276.07
IUPAC NameN-methyl-1-(2-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESCNC(c1cnc(C(F)(F)F)s1)c1ccnn1C
InChIInChI=1S/C10H11F3N4S/c1-14-8(6-3-4-16-17(6)2)7-5-15-9(18-7)10(11,12)13/h3-5,8,14H,1-2H3
InChIKeyAFRRZNFITBNQIO-UHFFFAOYSA-N
XLogP2.20
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.20
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-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of N-methyl-1-(2-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (CID 106785892) is N-methyl-1-(2-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-(2-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for N-methyl-1-(2-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is CNC(c1cnc(C(F)(F)F)s1)c1ccnn1C.
What is the InChIKey of N-methyl-1-(2-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is AFRRZNFITBNQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4S/c1-14-8(6-3-4-16-17(6)2)7-5-15-9(18-7)10(11,12)13/h3-5,8,14H,1-2H3.
What are the key properties of N-methyl-1-(2-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
N-methyl-1-(2-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 276.29 g/mol, XLogP of 2.20, 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-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 106785892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).