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

C12H19ClF3N3S — CID 120965877

IUPAC[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methanamine;hydrochloride
SMILESCc1nc(C(F)(F)F)c(CN2CCC(CN)CC2)s1.Cl
InChIInChI=1S/C12H18F3N3S.ClH/c1-8-17-11(12(13,14)15)10(19-8)7-18-4-2-9(6-16)3-5-18;/h9H,2-7,16H2,1H3;1H
InChIKeyFQLBDUFQDNVTLC-UHFFFAOYSA-N
MW329.82 g/mol
LogP3.06
Rot. Bonds3

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

[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methanamine;hydrochloride (PubChem CID 120965877) has the molecular formula C12H19ClF3N3S and a molecular weight of 329.82 g/mol. Its IUPAC name is [1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methanamine;hydrochloride
PubChem CID120965877
Molecular FormulaC12H19ClF3N3S
Molecular Weight329.82 g/mol
Exact Mass329.09
IUPAC Name[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methanamine;hydrochloride
SMILESCc1nc(C(F)(F)F)c(CN2CCC(CN)CC2)s1.Cl
InChIInChI=1S/C12H18F3N3S.ClH/c1-8-17-11(12(13,14)15)10(19-8)7-18-4-2-9(6-16)3-5-18;/h9H,2-7,16H2,1H3;1H
InChIKeyFQLBDUFQDNVTLC-UHFFFAOYSA-N
XLogP3.06
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.82
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methanamine;hydrochloride 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

(3S)-1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-amine
CID 120966565
1-[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]ethanamine;hydrochloride
CID 120966121
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-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]ethanamine
CID 120966315
2-methyl-5-[(2-methylpiperazin-1-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole;hydrochloride
CID 120966027
2-methyl-5-[[(2S)-2-methylpiperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole
CID 120966684
5-[(2,3-dimethylpiperazin-1-yl)methyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole
CID 120967140
[1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanamine;hydrochloride
CID 120834617
4-[1-[[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]-2-methylbenzaldehyde
CID 167258575
[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanamine
CID 55209715
[1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methanamine;hydrochloride
CID 120834719

Frequently Asked Questions

What is the IUPAC name of [1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methanamine;hydrochloride?
The IUPAC name of [1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methanamine;hydrochloride (CID 120965877) is [1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methanamine;hydrochloride is Cc1nc(C(F)(F)F)c(CN2CCC(CN)CC2)s1.Cl.
What is the InChIKey of [1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methanamine;hydrochloride?
The InChIKey is FQLBDUFQDNVTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3S.ClH/c1-8-17-11(12(13,14)15)10(19-8)7-18-4-2-9(6-16)3-5-18;/h9H,2-7,16H2,1H3;1H.
What are the key properties of [1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methanamine;hydrochloride?
[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methanamine;hydrochloride has a molecular weight of 329.82 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methanamine;hydrochloride is sourced from PubChem (CID 120965877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).