5-(aminomethyl)-N-ethyl-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

C11H18F3N3S — CID 55117892

IUPAC5-(aminomethyl)-N-ethyl-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCCc1nc(N(CC)CC(F)(F)F)sc1CN
InChIInChI=1S/C11H18F3N3S/c1-3-5-8-9(6-15)18-10(16-8)17(4-2)7-11(12,13)14/h3-7,15H2,1-2H3
InChIKeyAOEOIXOOYRCWNZ-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.94
Rot. Bonds6

About 5-(aminomethyl)-N-ethyl-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

5-(aminomethyl)-N-ethyl-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 55117892) has the molecular formula C11H18F3N3S and a molecular weight of 281.35 g/mol. Its IUPAC name is 5-(aminomethyl)-N-ethyl-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-ethyl-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID55117892
Molecular FormulaC11H18F3N3S
Molecular Weight281.35 g/mol
Exact Mass281.12
IUPAC Name5-(aminomethyl)-N-ethyl-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCCc1nc(N(CC)CC(F)(F)F)sc1CN
InChIInChI=1S/C11H18F3N3S/c1-3-5-8-9(6-15)18-10(16-8)17(4-2)7-11(12,13)14/h3-7,15H2,1-2H3
InChIKeyAOEOIXOOYRCWNZ-UHFFFAOYSA-N
XLogP2.94
TPSA42.15 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 ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-ethyl-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-N-ethyl-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 55117892) is 5-(aminomethyl)-N-ethyl-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-ethyl-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-ethyl-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is CCCc1nc(N(CC)CC(F)(F)F)sc1CN.
What is the InChIKey of 5-(aminomethyl)-N-ethyl-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is AOEOIXOOYRCWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3S/c1-3-5-8-9(6-15)18-10(16-8)17(4-2)7-11(12,13)14/h3-7,15H2,1-2H3.
What are the key properties of 5-(aminomethyl)-N-ethyl-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
5-(aminomethyl)-N-ethyl-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 281.35 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-ethyl-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 55117892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).