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

C12H20F3N3S — CID 62753039

IUPACN-ethyl-5-[1-(propylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCCNC(C)c1cnc(N(CC)CC(F)(F)F)s1
InChIInChI=1S/C12H20F3N3S/c1-4-6-16-9(3)10-7-17-11(19-10)18(5-2)8-12(13,14)15/h7,9,16H,4-6,8H2,1-3H3
InChIKeyJGRJLMRKNSSWLP-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.59
Rot. Bonds7

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

N-ethyl-5-[1-(propylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 62753039) has the molecular formula C12H20F3N3S and a molecular weight of 295.37 g/mol. Its IUPAC name is N-ethyl-5-[1-(propylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[1-(propylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID62753039
Molecular FormulaC12H20F3N3S
Molecular Weight295.37 g/mol
Exact Mass295.13
IUPAC NameN-ethyl-5-[1-(propylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCCNC(C)c1cnc(N(CC)CC(F)(F)F)s1
InChIInChI=1S/C12H20F3N3S/c1-4-6-16-9(3)10-7-17-11(19-10)18(5-2)8-12(13,14)15/h7,9,16H,4-6,8H2,1-3H3
InChIKeyJGRJLMRKNSSWLP-UHFFFAOYSA-N
XLogP3.59
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-5-[1-(ethylamino)ethyl]-N-propyl-1,3-thiazol-2-amine
CID 62750257
N-methyl-N-(3-methylbutan-2-yl)-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 62750951
N-ethyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine
CID 62651183
2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 62750118
N-(4-ethylcyclohexyl)-N-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 63513731
N-(cyclobutylmethyl)-N-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 62854238
N-methyl-N-(2-phenylethyl)-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 65486948
N-methyl-5-[1-(propylamino)ethyl]-N-(thiolan-3-yl)-1,3-thiazol-2-amine
CID 62750099
5-[1-(ethylamino)ethyl]-N-methyl-N-pentan-3-yl-1,3-thiazol-2-amine
CID 55112349
N-ethyl-1-[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanamine
CID 79964670
N-butan-2-yl-N-butyl-5-[1-(ethylamino)ethyl]-1,3-thiazol-2-amine
CID 62752426
N-methyl-5-[1-(propylamino)ethyl]-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine
CID 79493798

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[1-(propylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-ethyl-5-[1-(propylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 62753039) is N-ethyl-5-[1-(propylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-ethyl-5-[1-(propylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-ethyl-5-[1-(propylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is CCCNC(C)c1cnc(N(CC)CC(F)(F)F)s1.
What is the InChIKey of N-ethyl-5-[1-(propylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is JGRJLMRKNSSWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3S/c1-4-6-16-9(3)10-7-17-11(19-10)18(5-2)8-12(13,14)15/h7,9,16H,4-6,8H2,1-3H3.
What are the key properties of N-ethyl-5-[1-(propylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
N-ethyl-5-[1-(propylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 295.37 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[1-(propylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62753039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).