N-ethyl-4-methyl-5-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

C11H18F3N3S — CID 62754762

IUPACN-ethyl-4-methyl-5-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCN(CC(F)(F)F)c1nc(C)c(C(C)NC)s1
InChIInChI=1S/C11H18F3N3S/c1-5-17(6-11(12,13)14)10-16-8(3)9(18-10)7(2)15-4/h7,15H,5-6H2,1-4H3
InChIKeyIAIDCEQJYSAOCO-UHFFFAOYSA-N
MW281.35 g/mol
LogP3.12
Rot. Bonds5

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

N-ethyl-4-methyl-5-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 62754762) has the molecular formula C11H18F3N3S and a molecular weight of 281.35 g/mol. Its IUPAC name is N-ethyl-4-methyl-5-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-5-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID62754762
Molecular FormulaC11H18F3N3S
Molecular Weight281.35 g/mol
Exact Mass281.12
IUPAC NameN-ethyl-4-methyl-5-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCN(CC(F)(F)F)c1nc(C)c(C(C)NC)s1
InChIInChI=1S/C11H18F3N3S/c1-5-17(6-11(12,13)14)10-16-8(3)9(18-10)7(2)15-4/h7,15H,5-6H2,1-4H3
InChIKeyIAIDCEQJYSAOCO-UHFFFAOYSA-N
XLogP3.12
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-aminoethyl)-N,N,4-trimethyl-1,3-thiazol-2-amine
CID 50988945
5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-N-propan-2-yl-1,3-thiazol-2-amine
CID 135001092
N,N-dimethyl-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-amine
CID 15017643
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
N-cyclopentyl-5-[3-(dimethylamino)-2-fluoroprop-2-enyl]-4-methyl-1,3-thiazol-2-amine
CID 126534950
7,7-difluoro-N-methyl-5-propan-2-yl-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-amine
CID 142605703
5-propan-2-yl-N,N-dipropyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 170133924
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2,2,2-trifluoroethanamine
CID 43755116
1-[1-(2,4-Dimethyl-1,3-thiazol-5-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 47329251
N-ethyl-5-[1-(ethylamino)ethyl]-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55112448

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-5-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-ethyl-4-methyl-5-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 62754762) is N-ethyl-4-methyl-5-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-ethyl-4-methyl-5-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-ethyl-4-methyl-5-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is CCN(CC(F)(F)F)c1nc(C)c(C(C)NC)s1.
What is the InChIKey of N-ethyl-4-methyl-5-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is IAIDCEQJYSAOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3S/c1-5-17(6-11(12,13)14)10-16-8(3)9(18-10)7(2)15-4/h7,15H,5-6H2,1-4H3.
What are the key properties of N-ethyl-4-methyl-5-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
N-ethyl-4-methyl-5-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 281.35 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-5-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62754762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).