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

C11H18F3N3S — CID 62768024

IUPAC5-(aminomethyl)-4-ethyl-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCCN(CC(F)(F)F)c1nc(CC)c(CN)s1
InChIInChI=1S/C11H18F3N3S/c1-3-5-17(7-11(12,13)14)10-16-8(4-2)9(6-15)18-10/h3-7,15H2,1-2H3
InChIKeyXXNVCDILKZETRJ-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.94
Rot. Bonds6

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

5-(aminomethyl)-4-ethyl-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 62768024) has the molecular formula C11H18F3N3S and a molecular weight of 281.35 g/mol. Its IUPAC name is 5-(aminomethyl)-4-ethyl-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-4-ethyl-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID62768024
Molecular FormulaC11H18F3N3S
Molecular Weight281.35 g/mol
Exact Mass281.12
IUPAC Name5-(aminomethyl)-4-ethyl-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCCN(CC(F)(F)F)c1nc(CC)c(CN)s1
InChIInChI=1S/C11H18F3N3S/c1-3-5-17(7-11(12,13)14)10-16-8(4-2)9(6-15)18-10/h3-7,15H2,1-2H3
InChIKeyXXNVCDILKZETRJ-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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Related Compounds

5-(aminomethyl)-N-butyl-N,4-diethyl-1,3-thiazol-2-amine
CID 62764857
5-(ethylaminomethyl)-N,4-dipropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62767854
5-(aminomethyl)-N-ethyl-N,4-dipropyl-1,3-thiazol-2-amine
CID 62768644
5-(aminomethyl)-N-cyclopropyl-4-ethyl-N-propyl-1,3-thiazol-2-amine
CID 62768827
5-(aminomethyl)-4-tert-butyl-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62769416
4-methyl-N-propyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62768369
5-(methylaminomethyl)-4-propan-2-yl-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 79392791
5-[(cyclopropylamino)methyl]-N,4-diethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62767508
5-(aminomethyl)-N,4-diethyl-N-(2-methylbutyl)-1,3-thiazol-2-amine
CID 79480965
N,4-diethyl-5-(ethylaminomethyl)-N-propyl-1,3-thiazol-2-amine
CID 62766743
5-acetyl-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-4-carboxylic acid
CID 106697143
4-tert-butyl-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid
CID 62764090

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-4-ethyl-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-4-ethyl-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 62768024) is 5-(aminomethyl)-4-ethyl-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-4-ethyl-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-4-ethyl-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is CCCN(CC(F)(F)F)c1nc(CC)c(CN)s1.
What is the InChIKey of 5-(aminomethyl)-4-ethyl-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is XXNVCDILKZETRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3S/c1-3-5-17(7-11(12,13)14)10-16-8(4-2)9(6-15)18-10/h3-7,15H2,1-2H3.
What are the key properties of 5-(aminomethyl)-4-ethyl-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
5-(aminomethyl)-4-ethyl-N-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)-4-ethyl-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62768024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).