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

C12H20F3N3S — CID 55112448

IUPACN-ethyl-5-[1-(ethylamino)ethyl]-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCNC(C)c1sc(N(CC)CC(F)(F)F)nc1C
InChIInChI=1S/C12H20F3N3S/c1-5-16-8(3)10-9(4)17-11(19-10)18(6-2)7-12(13,14)15/h8,16H,5-7H2,1-4H3
InChIKeyQOFNBQYSUGKJSF-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.51
Rot. Bonds6

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

N-ethyl-5-[1-(ethylamino)ethyl]-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 55112448) has the molecular formula C12H20F3N3S and a molecular weight of 295.37 g/mol. Its IUPAC name is N-ethyl-5-[1-(ethylamino)ethyl]-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[1-(ethylamino)ethyl]-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID55112448
Molecular FormulaC12H20F3N3S
Molecular Weight295.37 g/mol
Exact Mass295.13
IUPAC NameN-ethyl-5-[1-(ethylamino)ethyl]-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCNC(C)c1sc(N(CC)CC(F)(F)F)nc1C
InChIInChI=1S/C12H20F3N3S/c1-5-16-8(3)10-9(4)17-11(19-10)18(6-2)7-12(13,14)15/h8,16H,5-7H2,1-4H3
InChIKeyQOFNBQYSUGKJSF-UHFFFAOYSA-N
XLogP3.51
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.51
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
2-N-ethyl-7-N-methyl-2-N-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
CID 55112494

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[1-(ethylamino)ethyl]-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-ethyl-5-[1-(ethylamino)ethyl]-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 55112448) is N-ethyl-5-[1-(ethylamino)ethyl]-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-ethyl-5-[1-(ethylamino)ethyl]-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-ethyl-5-[1-(ethylamino)ethyl]-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is CCNC(C)c1sc(N(CC)CC(F)(F)F)nc1C.
What is the InChIKey of N-ethyl-5-[1-(ethylamino)ethyl]-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is QOFNBQYSUGKJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3S/c1-5-16-8(3)10-9(4)17-11(19-10)18(6-2)7-12(13,14)15/h8,16H,5-7H2,1-4H3.
What are the key properties of N-ethyl-5-[1-(ethylamino)ethyl]-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
N-ethyl-5-[1-(ethylamino)ethyl]-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 295.37 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[1-(ethylamino)ethyl]-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 55112448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).