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

C11H15F3N2OS — CID 113497275

IUPACN-methyl-1-[2-(2-methyloxolan-2-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESCNCc1sc(C2(C)CCCO2)nc1C(F)(F)F
InChIInChI=1S/C11H15F3N2OS/c1-10(4-3-5-17-10)9-16-8(11(12,13)14)7(18-9)6-15-2/h15H,3-6H2,1-2H3
InChIKeyVEWICSKGWAJUTJ-UHFFFAOYSA-N
MW280.31 g/mol
LogP2.91
Rot. Bonds3

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

N-methyl-1-[2-(2-methyloxolan-2-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 113497275) has the molecular formula C11H15F3N2OS and a molecular weight of 280.31 g/mol. Its IUPAC name is N-methyl-1-[2-(2-methyloxolan-2-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(2-methyloxolan-2-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID113497275
Molecular FormulaC11H15F3N2OS
Molecular Weight280.31 g/mol
Exact Mass280.09
IUPAC NameN-methyl-1-[2-(2-methyloxolan-2-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESCNCc1sc(C2(C)CCCO2)nc1C(F)(F)F
InChIInChI=1S/C11H15F3N2OS/c1-10(4-3-5-17-10)9-16-8(11(12,13)14)7(18-9)6-15-2/h15H,3-6H2,1-2H3
InChIKeyVEWICSKGWAJUTJ-UHFFFAOYSA-N
XLogP2.91
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(2-methyloxolan-2-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of N-methyl-1-[2-(2-methyloxolan-2-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (CID 113497275) is N-methyl-1-[2-(2-methyloxolan-2-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(2-methyloxolan-2-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-(2-methyloxolan-2-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is CNCc1sc(C2(C)CCCO2)nc1C(F)(F)F.
What is the InChIKey of N-methyl-1-[2-(2-methyloxolan-2-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is VEWICSKGWAJUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2OS/c1-10(4-3-5-17-10)9-16-8(11(12,13)14)7(18-9)6-15-2/h15H,3-6H2,1-2H3.
What are the key properties of N-methyl-1-[2-(2-methyloxolan-2-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
N-methyl-1-[2-(2-methyloxolan-2-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 280.31 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(2-methyloxolan-2-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 113497275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).