N-ethyl-5-[1-(ethylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

C11H18F3N3S — CID 62752861

IUPACN-ethyl-5-[1-(ethylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCNC(C)c1cnc(N(CC)CC(F)(F)F)s1
InChIInChI=1S/C11H18F3N3S/c1-4-15-8(3)9-6-16-10(18-9)17(5-2)7-11(12,13)14/h6,8,15H,4-5,7H2,1-3H3
InChIKeyROFSUHXBPLOHAA-UHFFFAOYSA-N
MW281.35 g/mol
LogP3.20
Rot. Bonds6

About N-ethyl-5-[1-(ethylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

N-ethyl-5-[1-(ethylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 62752861) has the molecular formula C11H18F3N3S and a molecular weight of 281.35 g/mol. Its IUPAC name is N-ethyl-5-[1-(ethylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[1-(ethylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID62752861
Molecular FormulaC11H18F3N3S
Molecular Weight281.35 g/mol
Exact Mass281.12
IUPAC NameN-ethyl-5-[1-(ethylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCNC(C)c1cnc(N(CC)CC(F)(F)F)s1
InChIInChI=1S/C11H18F3N3S/c1-4-15-8(3)9-6-16-10(18-9)17(5-2)7-11(12,13)14/h6,8,15H,4-5,7H2,1-3H3
InChIKeyROFSUHXBPLOHAA-UHFFFAOYSA-N
XLogP3.20
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[1-(ethylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-ethyl-5-[1-(ethylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 62752861) is N-ethyl-5-[1-(ethylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-ethyl-5-[1-(ethylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-ethyl-5-[1-(ethylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is CCNC(C)c1cnc(N(CC)CC(F)(F)F)s1.
What is the InChIKey of N-ethyl-5-[1-(ethylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is ROFSUHXBPLOHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3S/c1-4-15-8(3)9-6-16-10(18-9)17(5-2)7-11(12,13)14/h6,8,15H,4-5,7H2,1-3H3.
What are the key properties of N-ethyl-5-[1-(ethylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
N-ethyl-5-[1-(ethylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 281.35 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[1-(ethylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62752861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).