1-[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]ethanamine

C13H20F3N3S — CID 120966315

IUPAC1-[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]ethanamine
SMILESCc1nc(C(F)(F)F)c(CN2CCCC(C(C)N)C2)s1
InChIInChI=1S/C13H20F3N3S/c1-8(17)10-4-3-5-19(6-10)7-11-12(13(14,15)16)18-9(2)20-11/h8,10H,3-7,17H2,1-2H3
InChIKeyLQSUDLWMCSWGHA-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.03
Rot. Bonds3

About 1-[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]ethanamine

1-[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]ethanamine (PubChem CID 120966315) has the molecular formula C13H20F3N3S and a molecular weight of 307.39 g/mol. Its IUPAC name is 1-[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]ethanamine
PubChem CID120966315
Molecular FormulaC13H20F3N3S
Molecular Weight307.39 g/mol
Exact Mass307.13
IUPAC Name1-[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]ethanamine
SMILESCc1nc(C(F)(F)F)c(CN2CCCC(C(C)N)C2)s1
InChIInChI=1S/C13H20F3N3S/c1-8(17)10-4-3-5-19(6-10)7-11-12(13(14,15)16)18-9(2)20-11/h8,10H,3-7,17H2,1-2H3
InChIKeyLQSUDLWMCSWGHA-UHFFFAOYSA-N
XLogP3.03
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]ethanamine;hydrochloride
CID 120966121
(3S)-1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-amine
CID 120966565
[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methanamine;hydrochloride
CID 120965877
3,3-dimethyl-1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride
CID 120967341
N-ethyl-1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxamide
CID 86791160
1-[1-(4,4,4-trifluorobutyl)piperidin-3-yl]ethanamine
CID 115512948
1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 119925596
(3R)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-3-ol
CID 129470952
1-[1-[2-(4-fluorophenyl)propyl]piperidin-3-yl]ethanamine
CID 120841093
1-[1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]ethanamine
CID 120841022
1-[1-(2-cyclopentylethyl)piperidin-3-yl]ethanamine
CID 119925718
2,4-dimethyl-5-[[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-1,3-thiazole
CID 124616399

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]ethanamine?
The IUPAC name of 1-[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]ethanamine (CID 120966315) is 1-[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]ethanamine.
What is the SMILES notation for 1-[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]ethanamine?
The canonical SMILES for 1-[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]ethanamine is Cc1nc(C(F)(F)F)c(CN2CCCC(C(C)N)C2)s1.
What is the InChIKey of 1-[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]ethanamine?
The InChIKey is LQSUDLWMCSWGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3S/c1-8(17)10-4-3-5-19(6-10)7-11-12(13(14,15)16)18-9(2)20-11/h8,10H,3-7,17H2,1-2H3.
What are the key properties of 1-[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]ethanamine?
1-[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]ethanamine has a molecular weight of 307.39 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]ethanamine is sourced from PubChem (CID 120966315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).