N-methyl-1-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]piperidin-3-amine;dihydrochloride

C18H27Cl2N3S — CID 119918423

IUPACN-methyl-1-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]piperidin-3-amine;dihydrochloride
SMILESCNC1CCCN(Cc2csc(CCc3ccccc3)n2)C1.Cl.Cl
InChIInChI=1S/C18H25N3S.2ClH/c1-19-16-8-5-11-21(12-16)13-17-14-22-18(20-17)10-9-15-6-3-2-4-7-15;;/h2-4,6-7,14,16,19H,5,8-13H2,1H3;2*1H
InChIKeyURSZFTMQDVGMQQ-UHFFFAOYSA-N
MW388.41 g/mol
LogP3.96
Rot. Bonds6

About N-methyl-1-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]piperidin-3-amine;dihydrochloride

N-methyl-1-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]piperidin-3-amine;dihydrochloride (PubChem CID 119918423) has the molecular formula C18H27Cl2N3S and a molecular weight of 388.41 g/mol. Its IUPAC name is N-methyl-1-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]piperidin-3-amine;dihydrochloride.

Molecular Properties

Compound NameN-methyl-1-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]piperidin-3-amine;dihydrochloride
PubChem CID119918423
Molecular FormulaC18H27Cl2N3S
Molecular Weight388.41 g/mol
Exact Mass387.13
IUPAC NameN-methyl-1-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]piperidin-3-amine;dihydrochloride
SMILESCNC1CCCN(Cc2csc(CCc3ccccc3)n2)C1.Cl.Cl
InChIInChI=1S/C18H25N3S.2ClH/c1-19-16-8-5-11-21(12-16)13-17-14-22-18(20-17)10-9-15-6-3-2-4-7-15;;/h2-4,6-7,14,16,19H,5,8-13H2,1H3;2*1H
InChIKeyURSZFTMQDVGMQQ-UHFFFAOYSA-N
XLogP3.96
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.41
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]piperidin-3-amine;dihydrochloride with MolForge

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Related Compounds

N-methyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine
CID 62545261
N-[[4-[[3-(methylamino)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methyl]benzamide
CID 119918242
N-methyl-1-[(4-propyl-1,3-thiazol-2-yl)methyl]piperidin-3-amine;hydrochloride
CID 120838062
[3-(methylamino)piperidin-1-yl]-[2-(2-phenylethyl)-1,3-thiazol-4-yl]methanone;dihydrochloride
CID 119490541
(3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane
CID 162106706
N-methyl-1-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]piperidin-3-amine
CID 120913071
N-[(3R)-1-[(2-butyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanesulfonamide
CID 94825826
2-[(2S,6R)-2,6-dimethyl-4-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanol
CID 146130495
1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine;dihydrochloride
CID 119910148
5-methyl-1-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]piperidine-3-carboxylic acid
CID 122120995
1-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-methylpiperidin-3-amine
CID 119918228
N-methyl-1-[(1-phenylpyrazol-3-yl)methyl]piperidin-3-amine;hydrochloride
CID 119919223

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]piperidin-3-amine;dihydrochloride?
The IUPAC name of N-methyl-1-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]piperidin-3-amine;dihydrochloride (CID 119918423) is N-methyl-1-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]piperidin-3-amine;dihydrochloride.
What is the SMILES notation for N-methyl-1-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]piperidin-3-amine;dihydrochloride?
The canonical SMILES for N-methyl-1-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]piperidin-3-amine;dihydrochloride is CNC1CCCN(Cc2csc(CCc3ccccc3)n2)C1.Cl.Cl.
What is the InChIKey of N-methyl-1-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]piperidin-3-amine;dihydrochloride?
The InChIKey is URSZFTMQDVGMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3S.2ClH/c1-19-16-8-5-11-21(12-16)13-17-14-22-18(20-17)10-9-15-6-3-2-4-7-15;;/h2-4,6-7,14,16,19H,5,8-13H2,1H3;2*1H.
What are the key properties of N-methyl-1-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]piperidin-3-amine;dihydrochloride?
N-methyl-1-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]piperidin-3-amine;dihydrochloride has a molecular weight of 388.41 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]piperidin-3-amine;dihydrochloride is sourced from PubChem (CID 119918423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).