1-[2-(2,2-dimethylcyclopropyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]-N-methylmethanamine

C11H15F3N2S — CID 114016602

IUPAC1-[2-(2,2-dimethylcyclopropyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(C2CC2(C)C)nc1C(F)(F)F
InChIInChI=1S/C11H15F3N2S/c1-10(2)4-6(10)9-16-8(11(12,13)14)7(17-9)5-15-3/h6,15H,4-5H2,1-3H3
InChIKeyJFQVYYNFQLPYIX-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.39
Rot. Bonds3

About 1-[2-(2,2-dimethylcyclopropyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]-N-methylmethanamine

1-[2-(2,2-dimethylcyclopropyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 114016602) has the molecular formula C11H15F3N2S and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-[2-(2,2-dimethylcyclopropyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(2,2-dimethylcyclopropyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID114016602
Molecular FormulaC11H15F3N2S
Molecular Weight264.32 g/mol
Exact Mass264.09
IUPAC Name1-[2-(2,2-dimethylcyclopropyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(C2CC2(C)C)nc1C(F)(F)F
InChIInChI=1S/C11H15F3N2S/c1-10(2)4-6(10)9-16-8(11(12,13)14)7(17-9)5-15-3/h6,15H,4-5H2,1-3H3
InChIKeyJFQVYYNFQLPYIX-UHFFFAOYSA-N
XLogP3.39
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[2-(2-methyloxolan-2-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 113497275
N-[[2-(2,2-dimethylcyclopropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114016605
1-[2-(2-ethoxypropan-2-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 116730788
N-[[2-(2,2-dimethylcyclopropyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 107925861
N-methyl-1-[2-(4-methylsulfanylphenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106849657
[2-(2,2-dimethylcyclopropyl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 107925814
1-[2-(4,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 65391068
N-cyclopentyl-N,4-diethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 62766939
1-[2-(3-bromo-4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 107915426
1-[4-ethyl-2-(4-methylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 104841127
4-tert-butyl-2-(2,2-dimethylcyclopropyl)-1,3-thiazole-5-carboxylic acid
CID 107925329
N-[[2-[cyclopropyl(ethoxy)methyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 116730811

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2-dimethylcyclopropyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(2,2-dimethylcyclopropyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]-N-methylmethanamine (CID 114016602) is 1-[2-(2,2-dimethylcyclopropyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(2,2-dimethylcyclopropyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(2,2-dimethylcyclopropyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]-N-methylmethanamine is CNCc1sc(C2CC2(C)C)nc1C(F)(F)F.
What is the InChIKey of 1-[2-(2,2-dimethylcyclopropyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is JFQVYYNFQLPYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2S/c1-10(2)4-6(10)9-16-8(11(12,13)14)7(17-9)5-15-3/h6,15H,4-5H2,1-3H3.
What are the key properties of 1-[2-(2,2-dimethylcyclopropyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[2-(2,2-dimethylcyclopropyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 264.32 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2-dimethylcyclopropyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 114016602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).