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

C13H19F3N2OS — CID 106785515

IUPACN-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1-(2,4,5-trimethyloxolan-3-yl)methanamine
SMILESCNC(c1cnc(C(F)(F)F)s1)C1C(C)OC(C)C1C
InChIInChI=1S/C13H19F3N2OS/c1-6-7(2)19-8(3)10(6)11(17-4)9-5-18-12(20-9)13(14,15)16/h5-8,10-11,17H,1-4H3
InChIKeyPEBBFCPXCFKWRI-UHFFFAOYSA-N
MW308.37 g/mol
LogP3.48
Rot. Bonds3

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

N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1-(2,4,5-trimethyloxolan-3-yl)methanamine (PubChem CID 106785515) has the molecular formula C13H19F3N2OS and a molecular weight of 308.37 g/mol. Its IUPAC name is N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1-(2,4,5-trimethyloxolan-3-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1-(2,4,5-trimethyloxolan-3-yl)methanamine
PubChem CID106785515
Molecular FormulaC13H19F3N2OS
Molecular Weight308.37 g/mol
Exact Mass308.12
IUPAC NameN-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1-(2,4,5-trimethyloxolan-3-yl)methanamine
SMILESCNC(c1cnc(C(F)(F)F)s1)C1C(C)OC(C)C1C
InChIInChI=1S/C13H19F3N2OS/c1-6-7(2)19-8(3)10(6)11(17-4)9-5-18-12(20-9)13(14,15)16/h5-8,10-11,17H,1-4H3
InChIKeyPEBBFCPXCFKWRI-UHFFFAOYSA-N
XLogP3.48
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-Ethyloxolan-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 105729771
N-[(2-ethyloxolan-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 105729774
N-[(2-ethyloxolan-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 105729775
1-(2-ethyloxolan-3-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 105729776
[(2-Ethyloxolan-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine
CID 105732366
4-Methoxy-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-amine
CID 106782361
2-(Oxolan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106782984
N-ethyl-2-(oxolan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106783033
N-[2-(oxolan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 106783034
3-Methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
CID 106783095
3-methoxy-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
CID 106783096
N-ethyl-3-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
CID 106783097

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1-(2,4,5-trimethyloxolan-3-yl)methanamine?
The IUPAC name of N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1-(2,4,5-trimethyloxolan-3-yl)methanamine (CID 106785515) is N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1-(2,4,5-trimethyloxolan-3-yl)methanamine.
What is the SMILES notation for N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1-(2,4,5-trimethyloxolan-3-yl)methanamine?
The canonical SMILES for N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1-(2,4,5-trimethyloxolan-3-yl)methanamine is CNC(c1cnc(C(F)(F)F)s1)C1C(C)OC(C)C1C.
What is the InChIKey of N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1-(2,4,5-trimethyloxolan-3-yl)methanamine?
The InChIKey is PEBBFCPXCFKWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2OS/c1-6-7(2)19-8(3)10(6)11(17-4)9-5-18-12(20-9)13(14,15)16/h5-8,10-11,17H,1-4H3.
What are the key properties of N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1-(2,4,5-trimethyloxolan-3-yl)methanamine?
N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1-(2,4,5-trimethyloxolan-3-yl)methanamine has a molecular weight of 308.37 g/mol, XLogP of 3.48, 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-(trifluoromethyl)-1,3-thiazol-5-yl]-1-(2,4,5-trimethyloxolan-3-yl)methanamine is sourced from PubChem (CID 106785515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).