4-ethyl-5-(ethylaminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

C11H18F3N3S — CID 55117416

IUPAC4-ethyl-5-(ethylaminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCNCc1sc(N(C)CC(F)(F)F)nc1CC
InChIInChI=1S/C11H18F3N3S/c1-4-8-9(6-15-5-2)18-10(16-8)17(3)7-11(12,13)14/h15H,4-7H2,1-3H3
InChIKeyCUHVIRPGKWKZSM-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.81
Rot. Bonds6

About 4-ethyl-5-(ethylaminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

4-ethyl-5-(ethylaminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 55117416) has the molecular formula C11H18F3N3S and a molecular weight of 281.35 g/mol. Its IUPAC name is 4-ethyl-5-(ethylaminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-ethyl-5-(ethylaminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID55117416
Molecular FormulaC11H18F3N3S
Molecular Weight281.35 g/mol
Exact Mass281.12
IUPAC Name4-ethyl-5-(ethylaminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCNCc1sc(N(C)CC(F)(F)F)nc1CC
InChIInChI=1S/C11H18F3N3S/c1-4-8-9(6-15-5-2)18-10(16-8)17(3)7-11(12,13)14/h15H,4-7H2,1-3H3
InChIKeyCUHVIRPGKWKZSM-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Thiazolo(5,4-c)pyridine-5(4H)-carbothioamide, 6,7-dihydro-2-((aminoiminomethyl)amino)-N-(1-methylethyl)-
CID 3062339
Thiazolo(5,4-c)pyridine-5(4H)-carboximidamide, 6,7-dihydro-2-((aminoiminomethyl)amino)-N-cyano-N'-methyl-
CID 3062340
5-(2-aminoethyl)-N,N,4-trimethyl-1,3-thiazol-2-amine
CID 50988945
N,N-dimethyl-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-amine dihydrochloride
CID 126796924
5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-N-propan-2-yl-1,3-thiazol-2-amine
CID 135001092
5-methyl-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine
CID 2123626
1-[2-(4-Ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2,3-dimethylguanidine
CID 86777199
N,N-dimethyl-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-amine
CID 15017643
1-[4-(4-Aminobutyl)-5-methyl-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethyl)guanidine
CID 21298743
5-(aminomethyl)-N-pentyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 87536124
4-Methyl-5-[1-(2,2,2-trifluoroethylamino)ethyl]-1,3-thiazol-2-amine
CID 87904346
5-[1-(4,4-Difluoropiperidin-1-yl)propyl]-4-methyl-1,3-thiazol-2-amine
CID 123480901

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-(ethylaminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-ethyl-5-(ethylaminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 55117416) is 4-ethyl-5-(ethylaminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-ethyl-5-(ethylaminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-ethyl-5-(ethylaminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is CCNCc1sc(N(C)CC(F)(F)F)nc1CC.
What is the InChIKey of 4-ethyl-5-(ethylaminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is CUHVIRPGKWKZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3S/c1-4-8-9(6-15-5-2)18-10(16-8)17(3)7-11(12,13)14/h15H,4-7H2,1-3H3.
What are the key properties of 4-ethyl-5-(ethylaminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
4-ethyl-5-(ethylaminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 281.35 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-(ethylaminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 55117416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).