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

C13H19F3N2OS — CID 106783328

IUPACN-[oxan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNC(c1cnc(C(F)(F)F)s1)C1CCCOC1
InChIInChI=1S/C13H19F3N2OS/c1-2-5-17-11(9-4-3-6-19-8-9)10-7-18-12(20-10)13(14,15)16/h7,9,11,17H,2-6,8H2,1H3
InChIKeyFWPSDPFTKDDCIE-UHFFFAOYSA-N
MW308.37 g/mol
LogP3.63
Rot. Bonds5

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

N-[oxan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine (PubChem CID 106783328) has the molecular formula C13H19F3N2OS and a molecular weight of 308.37 g/mol. Its IUPAC name is N-[oxan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[oxan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
PubChem CID106783328
Molecular FormulaC13H19F3N2OS
Molecular Weight308.37 g/mol
Exact Mass308.12
IUPAC NameN-[oxan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNC(c1cnc(C(F)(F)F)s1)C1CCCOC1
InChIInChI=1S/C13H19F3N2OS/c1-2-5-17-11(9-4-3-6-19-8-9)10-7-18-12(20-10)13(14,15)16/h7,9,11,17H,2-6,8H2,1H3
InChIKeyFWPSDPFTKDDCIE-UHFFFAOYSA-N
XLogP3.63
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 53.63
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-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-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
4-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]oxan-4-amine
CID 106782368
2-(Oxolan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106782984

Frequently Asked Questions

What is the IUPAC name of N-[oxan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[oxan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine (CID 106783328) is N-[oxan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[oxan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[oxan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine is CCCNC(c1cnc(C(F)(F)F)s1)C1CCCOC1.
What is the InChIKey of N-[oxan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The InChIKey is FWPSDPFTKDDCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2OS/c1-2-5-17-11(9-4-3-6-19-8-9)10-7-18-12(20-10)13(14,15)16/h7,9,11,17H,2-6,8H2,1H3.
What are the key properties of N-[oxan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
N-[oxan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine has a molecular weight of 308.37 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[oxan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 106783328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).