N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine

C11H17F3N2OS — CID 103215594

IUPACN-ethyl-1-(2-methyl-1,3-thiazol-4-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
SMILESCCNC(COCC(F)(F)F)Cc1csc(C)n1
InChIInChI=1S/C11H17F3N2OS/c1-3-15-9(5-17-7-11(12,13)14)4-10-6-18-8(2)16-10/h6,9,15H,3-5,7H2,1-2H3
InChIKeyDHLDAURKRCZAHR-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.55
Rot. Bonds7

About N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine

N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine (PubChem CID 103215594) has the molecular formula C11H17F3N2OS and a molecular weight of 282.33 g/mol. Its IUPAC name is N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-methyl-1,3-thiazol-4-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
PubChem CID103215594
Molecular FormulaC11H17F3N2OS
Molecular Weight282.33 g/mol
Exact Mass282.10
IUPAC NameN-ethyl-1-(2-methyl-1,3-thiazol-4-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
SMILESCCNC(COCC(F)(F)F)Cc1csc(C)n1
InChIInChI=1S/C11H17F3N2OS/c1-3-15-9(5-17-7-11(12,13)14)4-10-6-18-8(2)16-10/h6,9,15H,3-5,7H2,1-2H3
InChIKeyDHLDAURKRCZAHR-UHFFFAOYSA-N
XLogP2.55
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The IUPAC name of N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine (CID 103215594) is N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine.
What is the SMILES notation for N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The canonical SMILES for N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine is CCNC(COCC(F)(F)F)Cc1csc(C)n1.
What is the InChIKey of N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The InChIKey is DHLDAURKRCZAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2OS/c1-3-15-9(5-17-7-11(12,13)14)4-10-6-18-8(2)16-10/h6,9,15H,3-5,7H2,1-2H3.
What are the key properties of N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine?
N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine has a molecular weight of 282.33 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine is sourced from PubChem (CID 103215594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).