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

C18H25N3S — CID 56893944

IUPACN-methyl-4-[[2-(2-phenylethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESCNc1nc(CN2CCCCC2CCc2ccccc2)cs1
InChIInChI=1S/C18H25N3S/c1-19-18-20-16(14-22-18)13-21-12-6-5-9-17(21)11-10-15-7-3-2-4-8-15/h2-4,7-8,14,17H,5-6,9-13H2,1H3,(H,19,20)
InChIKeyOREDFNHVXSIGPH-UHFFFAOYSA-N
MW315.49 g/mol
LogP4.17
Rot. Bonds6

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

N-methyl-4-[[2-(2-phenylethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 56893944) has the molecular formula C18H25N3S and a molecular weight of 315.49 g/mol. Its IUPAC name is N-methyl-4-[[2-(2-phenylethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-4-[[2-(2-phenylethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
PubChem CID56893944
Molecular FormulaC18H25N3S
Molecular Weight315.49 g/mol
Exact Mass315.18
IUPAC NameN-methyl-4-[[2-(2-phenylethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESCNc1nc(CN2CCCCC2CCc2ccccc2)cs1
InChIInChI=1S/C18H25N3S/c1-19-18-20-16(14-22-18)13-21-12-6-5-9-17(21)11-10-15-7-3-2-4-8-15/h2-4,7-8,14,17H,5-6,9-13H2,1H3,(H,19,20)
InChIKeyOREDFNHVXSIGPH-UHFFFAOYSA-N
XLogP4.17
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.49
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[(1-methylpyrazol-4-yl)methyl]-2-(2-phenylethyl)piperidine
CID 95876965
2-ethyl-5-[[(2S)-2-(2-phenylethyl)piperidin-1-yl]methyl]pyrimidine
CID 95869234
N-[4-[[2-(methylaminomethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 63250166
1-methyl-2-[[(2S)-2-(2-phenylethyl)pyrrolidin-1-yl]methyl]imidazole
CID 95595150
3-[(2R)-1-benzylpiperidin-2-yl]-N-methylpropan-1-amine
CID 97167936
(2S)-1-benzyl-2-propylpiperidine
CID 71407726
N-[4-[[2-(methylaminomethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 81490722
2-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]ethanol
CID 62020101
1-benzyl-2-(2-chloroethyl)piperidine
CID 18473722
(2S)-1-(2-methylsulfonylethyl)-2-(2-phenylethyl)piperidine
CID 97101388
5-[[2-(2-phenylethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 56886725
2-methyl-N-[[4-[(2-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 83046678

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[2-(2-phenylethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-4-[[2-(2-phenylethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine (CID 56893944) is N-methyl-4-[[2-(2-phenylethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-4-[[2-(2-phenylethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-4-[[2-(2-phenylethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine is CNc1nc(CN2CCCCC2CCc2ccccc2)cs1.
What is the InChIKey of N-methyl-4-[[2-(2-phenylethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is OREDFNHVXSIGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3S/c1-19-18-20-16(14-22-18)13-21-12-6-5-9-17(21)11-10-15-7-3-2-4-8-15/h2-4,7-8,14,17H,5-6,9-13H2,1H3,(H,19,20).
What are the key properties of N-methyl-4-[[2-(2-phenylethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine?
N-methyl-4-[[2-(2-phenylethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 315.49 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[2-(2-phenylethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 56893944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).