4-ethyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]oxan-3-amine

C13H19F3N2OS — CID 138047163

IUPAC4-ethyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]oxan-3-amine
SMILESCCC1CCOCC1NCCc1nc(C(F)(F)F)cs1
InChIInChI=1S/C13H19F3N2OS/c1-2-9-4-6-19-7-10(9)17-5-3-12-18-11(8-20-12)13(14,15)16/h8-10,17H,2-7H2,1H3
InChIKeyBNYIOELMTJGHOR-UHFFFAOYSA-N
MW308.37 g/mol
LogP3.11
Rot. Bonds5

About 4-ethyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]oxan-3-amine

4-ethyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]oxan-3-amine (PubChem CID 138047163) has the molecular formula C13H19F3N2OS and a molecular weight of 308.37 g/mol. Its IUPAC name is 4-ethyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]oxan-3-amine.

Molecular Properties

Compound Name4-ethyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]oxan-3-amine
PubChem CID138047163
Molecular FormulaC13H19F3N2OS
Molecular Weight308.37 g/mol
Exact Mass308.12
IUPAC Name4-ethyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]oxan-3-amine
SMILESCCC1CCOCC1NCCc1nc(C(F)(F)F)cs1
InChIInChI=1S/C13H19F3N2OS/c1-2-9-4-6-19-7-10(9)17-5-3-12-18-11(8-20-12)13(14,15)16/h8-10,17H,2-7H2,1H3
InChIKeyBNYIOELMTJGHOR-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(4-methyl-1,3-thiazol-2-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 55120357
N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-5-(2,2,2-trifluoroethoxy)pentan-2-amine
CID 55120858
1-(4-methyl-1,3-thiazol-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 64481070
2-[4-(Trifluoromethyl)-1,3-thiazol-2-yl]morpholine
CID 66000677
1-methoxy-3-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butan-2-amine
CID 84588245
(2S)-1-methoxy-3-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butan-2-amine
CID 97603162
(2R)-1-methoxy-3-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butan-2-amine
CID 97603163
4-(2,2-difluoroethoxy)-1-(4-methyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine
CID 103149872
N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103215594
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103215598
1-(2-methyl-1,3-thiazol-4-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103215600
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103215892

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]oxan-3-amine?
The IUPAC name of 4-ethyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]oxan-3-amine (CID 138047163) is 4-ethyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]oxan-3-amine.
What is the SMILES notation for 4-ethyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]oxan-3-amine?
The canonical SMILES for 4-ethyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]oxan-3-amine is CCC1CCOCC1NCCc1nc(C(F)(F)F)cs1.
What is the InChIKey of 4-ethyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]oxan-3-amine?
The InChIKey is BNYIOELMTJGHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2OS/c1-2-9-4-6-19-7-10(9)17-5-3-12-18-11(8-20-12)13(14,15)16/h8-10,17H,2-7H2,1H3.
What are the key properties of 4-ethyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]oxan-3-amine?
4-ethyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]oxan-3-amine has a molecular weight of 308.37 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]oxan-3-amine is sourced from PubChem (CID 138047163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).