[1-[[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanamine

C19H24N6S — CID 45227302

IUPAC[1-[[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanamine
SMILESNCc1cn(CC2CCCN(Cc3cnc(-c4ccccc4)s3)C2)nn1
InChIInChI=1S/C19H24N6S/c20-9-17-13-25(23-22-17)12-15-5-4-8-24(11-15)14-18-10-21-19(26-18)16-6-2-1-3-7-16/h1-3,6-7,10,13,15H,4-5,8-9,11-12,14,20H2
InChIKeyZULRZHZCZGBPKV-UHFFFAOYSA-N
MW368.51 g/mol
LogP2.77
Rot. Bonds6

About [1-[[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanamine

[1-[[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanamine (PubChem CID 45227302) has the molecular formula C19H24N6S and a molecular weight of 368.51 g/mol. Its IUPAC name is [1-[[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanamine
PubChem CID45227302
Molecular FormulaC19H24N6S
Molecular Weight368.51 g/mol
Exact Mass368.18
IUPAC Name[1-[[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanamine
SMILESNCc1cn(CC2CCCN(Cc3cnc(-c4ccccc4)s3)C2)nn1
InChIInChI=1S/C19H24N6S/c20-9-17-13-25(23-22-17)12-15-5-4-8-24(11-15)14-18-10-21-19(26-18)16-6-2-1-3-7-16/h1-3,6-7,10,13,15H,4-5,8-9,11-12,14,20H2
InChIKeyZULRZHZCZGBPKV-UHFFFAOYSA-N
XLogP2.77
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [1-[[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanamine with MolForge

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Related Compounds

[1-[[1-[[2-(furan-2-yl)phenyl]methyl]piperidin-3-yl]methyl]triazol-4-yl]methanamine
CID 45234763
[1-[[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanamine
CID 45243962
[1-[[(3S)-1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]piperidin-3-yl]methyl]triazol-4-yl]methanamine
CID 31075020
N-[[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 74415456
(3S)-1-[(4-fluorophenyl)methyl]-3-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidine
CID 31135460
[(3R,4R)-4-phenyl-1-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methanamine
CID 120769288
[1-[[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol
CID 45209928
[1-[[(3S)-1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol
CID 28737834
[1-[[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanamine;bis(2,2,2-trifluoroacetic acid)
CID 154889604
3-[(3S)-1-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]propanamide
CID 95708835
2-methyl-5-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 95325530
[3-[[4-(aminomethyl)triazol-1-yl]methyl]piperidin-1-yl]-[5-(3-methylphenyl)furan-2-yl]methanone
CID 45192228

Frequently Asked Questions

What is the IUPAC name of [1-[[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanamine?
The IUPAC name of [1-[[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanamine (CID 45227302) is [1-[[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanamine.
What is the SMILES notation for [1-[[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanamine?
The canonical SMILES for [1-[[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanamine is NCc1cn(CC2CCCN(Cc3cnc(-c4ccccc4)s3)C2)nn1.
What is the InChIKey of [1-[[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanamine?
The InChIKey is ZULRZHZCZGBPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6S/c20-9-17-13-25(23-22-17)12-15-5-4-8-24(11-15)14-18-10-21-19(26-18)16-6-2-1-3-7-16/h1-3,6-7,10,13,15H,4-5,8-9,11-12,14,20H2.
What are the key properties of [1-[[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanamine?
[1-[[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanamine has a molecular weight of 368.51 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanamine is sourced from PubChem (CID 45227302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).