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

C12H17F3N2OS — CID 106783324

IUPACN-[oxan-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNC(c1cnc(C(F)(F)F)s1)C1CCOCC1
InChIInChI=1S/C12H17F3N2OS/c1-2-16-10(8-3-5-18-6-4-8)9-7-17-11(19-9)12(13,14)15/h7-8,10,16H,2-6H2,1H3
InChIKeyYRMBAIPTKZGTHJ-UHFFFAOYSA-N
MW294.34 g/mol
LogP3.24
Rot. Bonds4

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

N-[oxan-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 106783324) has the molecular formula C12H17F3N2OS and a molecular weight of 294.34 g/mol. Its IUPAC name is N-[oxan-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[oxan-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID106783324
Molecular FormulaC12H17F3N2OS
Molecular Weight294.34 g/mol
Exact Mass294.10
IUPAC NameN-[oxan-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNC(c1cnc(C(F)(F)F)s1)C1CCOCC1
InChIInChI=1S/C12H17F3N2OS/c1-2-16-10(8-3-5-18-6-4-8)9-7-17-11(19-9)12(13,14)15/h7-8,10,16H,2-6H2,1H3
InChIKeyYRMBAIPTKZGTHJ-UHFFFAOYSA-N
XLogP3.24
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N-[(1S)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]-3-(oxan-4-yl)propan-1-amine
CID 97103233
N-methyl-1-(1,3-thiazol-5-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148397
N-ethyl-1-(1,3-thiazol-5-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148608
N-propyl-1-(1,3-thiazol-5-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148763
4-(2,2-difluoroethoxy)-N-methyl-1-(1,3-thiazol-5-yl)butan-2-amine
CID 103149364
4-(2,2-difluoroethoxy)-N-propyl-1-(1,3-thiazol-5-yl)butan-2-amine
CID 103149976
(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

Frequently Asked Questions

What is the IUPAC name of N-[oxan-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[oxan-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 106783324) is N-[oxan-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[oxan-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[oxan-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine is CCNC(c1cnc(C(F)(F)F)s1)C1CCOCC1.
What is the InChIKey of N-[oxan-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is YRMBAIPTKZGTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2OS/c1-2-16-10(8-3-5-18-6-4-8)9-7-17-11(19-9)12(13,14)15/h7-8,10,16H,2-6H2,1H3.
What are the key properties of N-[oxan-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-[oxan-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 294.34 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[oxan-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 106783324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).