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

C12H20F3N3S — CID 55117367

IUPAC5-(ethylaminomethyl)-N-methyl-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCCc1nc(N(C)CC(F)(F)F)sc1CNCC
InChIInChI=1S/C12H20F3N3S/c1-4-6-9-10(7-16-5-2)19-11(17-9)18(3)8-12(13,14)15/h16H,4-8H2,1-3H3
InChIKeyOUKGKUGEYBPWLY-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.20
Rot. Bonds7

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

5-(ethylaminomethyl)-N-methyl-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 55117367) has the molecular formula C12H20F3N3S and a molecular weight of 295.37 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N-methyl-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N-methyl-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID55117367
Molecular FormulaC12H20F3N3S
Molecular Weight295.37 g/mol
Exact Mass295.13
IUPAC Name5-(ethylaminomethyl)-N-methyl-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCCc1nc(N(C)CC(F)(F)F)sc1CNCC
InChIInChI=1S/C12H20F3N3S/c1-4-6-9-10(7-16-5-2)19-11(17-9)18(3)8-12(13,14)15/h16H,4-8H2,1-3H3
InChIKeyOUKGKUGEYBPWLY-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
2-[2-(2,2,2-Trifluoroethyl)guanidino]-4-(4-aminobutyl)-5-methylthiazole dihydrochloride
CID 21298863
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
7,7-difluoro-N-methyl-5-propan-2-yl-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-amine
CID 142605703
N-ethyl-5-[1-(ethylamino)ethyl]-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55112448
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
N-cyclopropyl-4-methyl-5-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55112495
2-N-cyclopropyl-2-N-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
CID 55113669
5-(1-aminoethyl)-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55113714

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N-methyl-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(ethylaminomethyl)-N-methyl-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 55117367) is 5-(ethylaminomethyl)-N-methyl-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(ethylaminomethyl)-N-methyl-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(ethylaminomethyl)-N-methyl-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is CCCc1nc(N(C)CC(F)(F)F)sc1CNCC.
What is the InChIKey of 5-(ethylaminomethyl)-N-methyl-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is OUKGKUGEYBPWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3S/c1-4-6-9-10(7-16-5-2)19-11(17-9)18(3)8-12(13,14)15/h16H,4-8H2,1-3H3.
What are the key properties of 5-(ethylaminomethyl)-N-methyl-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
5-(ethylaminomethyl)-N-methyl-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 295.37 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N-methyl-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 55117367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).